CID 135408695

6940-45-0

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC1=C(C(=O)NC(=N1)N)CCO

InChI

InChI=1S/C7H11N3O2/c1-4-5(2-3-11)6(12)10-7(8)9-4/h11H,2-3H2,1H3,(H3,8,9,10,12)

InChIKey

OJXFZYFYTJJGFU-UHFFFAOYSA-N

Compound name

2-amino-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 169.08513 Da
Monoisotopic Mass: -1.3
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]+	170.09241	134.7
[M+Na]+	192.07435	146.0
[M+NH4]+	187.11895	140.7
[M+K]+	208.04829	141.8
[M-H]-	168.07785	134.3
[M+Na-2H]-	190.05980	139.2
[M]+	169.08458	135.8
[M]-	169.08568	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe