CID 135591005

6-(propan-2-yl)pyrimidin-4-ol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC(C)C1=CC(=O)NC=N1

InChI

InChI=1S/C7H10N2O/c1-5(2)6-3-7(10)9-4-8-6/h3-5H,1-2H3,(H,8,9,10)

InChIKey

ZNWRDDRXQOKOLM-UHFFFAOYSA-N

Compound name

4-propan-2-yl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 138.07932 Da
Monoisotopic Mass: 0.4
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]+	139.086596	126.7
[M+Na]+	161.068538	135.6
[M-H]-	137.072044	126.7
[M+NH4]+	156.113143	145.3
[M+K]+	177.042478	133.4
[M+H-H2O]+	121.076580	120.2
[M+HCOO]-	183.077521	147.3
[M+CH3COO]-	197.093171	171.2
[M+Na-2H]-	159.053986	133.7
[M]+	138.07877142	125.6
[M]-	138.07986858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe