CID 166830

Cytosine glycol

Structural Information

Molecular Formula

C₄H₇N₃O₃

SMILES

C1(C(NC(=O)N=C1N)O)O

InChI

InChI=1S/C4H7N3O3/c5-2-1(8)3(9)7-4(10)6-2/h1,3,8-9H,(H3,5,6,7,10)

InChIKey

KJFJEAILAVCIQJ-UHFFFAOYSA-N

Compound name

4-amino-5,6-dihydroxy-5,6-dihydro-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 99
Patents: 145.04874 Da
Monoisotopic Mass: -2.5
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]+	146.05602	128.6
[M+Na]+	168.03796	136.9
[M-H]-	144.04146	125.6
[M+NH4]+	163.08256	145.0
[M+K]+	184.01190	134.2
[M+H-H2O]+	128.04600	122.6
[M+HCOO]-	190.04694	145.9
[M+CH3COO]-	204.06259	168.3
[M+Na-2H]-	166.02341	132.9
[M]+	145.04819	122.2
[M]-	145.04929	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe