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

128
Patents

138.07932 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 128.5
[M+Na]+ 161.068538 136.9
[M-H]- 137.072044 128.3
[M+NH4]+ 156.113143 147.0
[M+K]+ 177.042478 135.2
[M+H-H2O]+ 121.076580 122.2
[M+HCOO]- 183.077521 148.3
[M+CH3COO]- 197.093171 170.3
[M+Na-2H]- 159.053986 138.0
[M]+ 138.07877142 127.8
[M]- 138.07986858 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe