PubChemLite - Epsilon-adp (C12H15N5O10P2)

Structural Information

Molecular Formula

SMILES

C1=CN2C=NC3=C(C2=N1)N=CN3C4C(C(C(O4)COP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C12H15N5O10P2/c18-8-6(3-25-29(23,24)27-28(20,21)22)26-12(9(8)19)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-19H,3H2,(H,23,24)(H2,20,21,22)

InChIKey

OWCTWNCXGDVJGX-UHFFFAOYSA-N

Compound name

(3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl)methyl phosphono hydrogen phosphate

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]+	452.03670	190.5
[M+Na]+	474.01864	195.2
[M-H]-	450.02214	187.9
[M+NH4]+	469.06324	195.0
[M+K]+	489.99258	198.1
[M+H-H2O]+	434.02668	180.4
[M+HCOO]-	496.02762	209.1
[M+CH3COO]-	510.04327	218.0
[M+Na-2H]-	472.00409	190.5
[M]+	451.02887	195.2
[M]-	451.02997	195.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.03670

190.5

[M+Na]+

474.01864

195.2

[M-H]-

450.02214

187.9

[M+NH4]+

469.06324

195.0

[M+K]+

489.99258

198.1

[M+H-H2O]+

434.02668

180.4

[M+HCOO]-

496.02762

209.1

[M+CH3COO]-

510.04327

218.0

[M+Na-2H]-

472.00409

190.5

[M]+

451.02887

195.2

[M]-

451.02997

195.2

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

Epsilon-adp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe