CID 512647

1-((2-hydroxyethoxy)methyl)cytosine

Structural Information

Molecular Formula

C₇H₁₁N₃O₃

SMILES

C1=CN(C(=O)N=C1N)COCCO

InChI

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

InChIKey

DLESWOKDNKUHQM-UHFFFAOYSA-N

Compound name

4-amino-1-(2-hydroxyethoxymethyl)pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 26
Patents: 185.08005 Da
Monoisotopic Mass: -1.9
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	136.8
[M+Na]+	208.06927	145.8
[M-H]-	184.07277	136.5
[M+NH4]+	203.11387	153.0
[M+K]+	224.04321	143.6
[M+H-H2O]+	168.07731	129.5
[M+HCOO]-	230.07825	159.1
[M+CH3COO]-	244.09390	180.1
[M+Na-2H]-	206.05472	143.5
[M]+	185.07950	137.7
[M]-	185.08060	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe