CID 24903621

954226-56-3

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

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

InChI

InChI=1S/C8H12N2O/c1-6(2)8-9-3-7(5-11)4-10-8/h3-4,6,11H,5H2,1-2H3

InChIKey

PXZMBUKDGVRCBA-UHFFFAOYSA-N

Compound name

(2-propan-2-ylpyrimidin-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 152.09496 Da
Monoisotopic Mass: 0.5
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]+	153.10224	132.2
[M+Na]+	175.08418	140.4
[M-H]-	151.08768	132.0
[M+NH4]+	170.12878	150.3
[M+K]+	191.05812	138.6
[M+H-H2O]+	135.09222	125.5
[M+HCOO]-	197.09316	152.3
[M+CH3COO]-	211.10881	175.0
[M+Na-2H]-	173.06963	138.7
[M]+	152.09441	132.1
[M]-	152.09551	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe