CID 24903621

(2-isopropylpyrimidin-5-yl)methanol

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: 29
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	145.0
[M+NH4]+	170.12878	139.9
[M+K]+	191.05812	139.4
[M-H]-	151.08768	132.8
[M+Na-2H]-	173.06963	138.7
[M]+	152.09441	134.1
[M]-	152.09551	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe