CID 70751

5-hydroxymethylcytosine

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

C1=NC(=O)NC(=C1CO)N

InChI

InChI=1S/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)

InChIKey

RYVNIFSIEDRLSJ-UHFFFAOYSA-N

Compound name

6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1338
References: 35508
Patents: 141.05383 Da
Monoisotopic Mass: -1.5
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]+	142.06111	126.1
[M+Na]+	164.04305	135.7
[M-H]-	140.04655	124.7
[M+NH4]+	159.08765	143.5
[M+K]+	180.01699	132.5
[M+H-H2O]+	124.05109	119.7
[M+HCOO]-	186.05203	147.4
[M+CH3COO]-	200.06768	169.4
[M+Na-2H]-	162.02850	133.2
[M]+	141.05328	123.0
[M]-	141.05438	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe