CID 10261815

Glyceryl cytosine

Structural Information

Molecular Formula

C₇H₁₁N₃O₃

SMILES

C1=CN(C(=O)N=C1N)CC(CO)O

InChI

InChI=1S/C7H11N3O3/c8-6-1-2-10(7(13)9-6)3-5(12)4-11/h1-2,5,11-12H,3-4H2,(H2,8,9,13)

InChIKey

LTTDCEYZEHQDGW-UHFFFAOYSA-N

Compound name

4-amino-1-(2,3-dihydroxypropyl)pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 25
Patents: 185.08005 Da
Monoisotopic Mass: -2.4
XlogP (predicted)

Profile

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]+	186.08733	138.0
[M+Na]+	208.06927	146.2
[M-H]-	184.07277	136.4
[M+NH4]+	203.11387	153.4
[M+K]+	224.04321	143.7
[M+H-H2O]+	168.07731	131.0
[M+HCOO]-	230.07825	157.8
[M+CH3COO]-	244.09390	178.6
[M+Na-2H]-	206.05472	142.8
[M]+	185.07950	136.4
[M]-	185.08060	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe