CID 11542800

1-(2-methyl-1h-imidazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1=NC=CN1CC(C)O
InChI
InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3
InChIKey
VUFBCWUJICCKDU-UHFFFAOYSA-N
Compound name
1-(2-methylimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

693
Patents

140.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.7
[M+Na]+ 163.08418 140.6
[M+NH4]+ 158.12878 137.2
[M+K]+ 179.05812 137.5
[M-H]- 139.08768 129.3
[M+Na-2H]- 161.06963 134.5
[M]+ 140.09441 130.9
[M]- 140.09551 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe