PubChemLite - 5-ethylcytidine 3',5'-cyclic monophosphate (C11H16N3O7P)

Structural Information

Molecular Formula

SMILES

CCC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3C(O2)COP(=O)(O3)O)O

InChI

InChI=1S/C11H16N3O7P/c1-2-5-3-14(11(16)13-9(5)12)10-7(15)8-6(20-10)4-19-22(17,18)21-8/h3,6-8,10,15H,2,4H2,1H3,(H,17,18)(H2,12,13,16)/t6?,7-,8?,10-/m1/s1

InChIKey

RNPKQCPIOIDKEX-SVLSAUASSA-N

Compound name

4-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-ethylpyrimidin-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	334.07988	174.0
[M+Na]+	356.06182	182.4
[M-H]-	332.06532	177.4
[M+NH4]+	351.10642	184.5
[M+K]+	372.03576	183.4
[M+H-H2O]+	316.06986	164.9
[M+HCOO]-	378.07080	192.1
[M+CH3COO]-	392.08645	207.0
[M+Na-2H]-	354.04727	174.1
[M]+	333.07205	175.5
[M]-	333.07315	175.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

334.07988

174.0

[M+Na]+

356.06182

182.4

[M-H]-

332.06532

177.4

[M+NH4]+

351.10642

184.5

[M+K]+

372.03576

183.4

[M+H-H2O]+

316.06986

164.9

[M+HCOO]-

378.07080

192.1

[M+CH3COO]-

392.08645

207.0

[M+Na-2H]-

354.04727

174.1

[M]+

333.07205

175.5

[M]-

333.07315

175.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-ethylcytidine 3',5'-cyclic monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe