CID 130550961

1862942-08-2

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CC(C)OC1=NC=C(C=N1)CO

InChI

InChI=1S/C8H12N2O2/c1-6(2)12-8-9-3-7(5-11)4-10-8/h3-4,6,11H,5H2,1-2H3

InChIKey

BZWQMTWQUBEFSD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.08987 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]+	169.09715	135.3
[M+Na]+	191.07909	143.4
[M-H]-	167.08259	135.1
[M+NH4]+	186.12369	152.6
[M+K]+	207.05303	142.0
[M+H-H2O]+	151.08713	128.2
[M+HCOO]-	213.08807	155.5
[M+CH3COO]-	227.10372	177.1
[M+Na-2H]-	189.06454	141.7
[M]+	168.08932	136.6
[M]-	168.09042	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.