CID 21907825

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

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

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

InChI

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

InChIKey

ZNZRVANGLTZTCR-UHFFFAOYSA-N

Compound name

2-pyrimidin-2-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 138.07932 Da
Monoisotopic Mass: -0.1
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]+	139.08660	128.5
[M+Na]+	161.06854	136.9
[M-H]-	137.07204	128.3
[M+NH4]+	156.11314	147.0
[M+K]+	177.04248	135.2
[M+H-H2O]+	121.07658	122.2
[M+HCOO]-	183.07752	148.3
[M+CH3COO]-	197.09317	170.3
[M+Na-2H]-	159.05399	138.0
[M]+	138.07877	127.8
[M]-	138.07987	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe