CID 84648525

2-(1-methyl-1h-imidazol-5-yl)propan-2-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)(C1=CN=CN1C)O
InChI
InChI=1S/C7H12N2O/c1-7(2,10)6-4-8-5-9(6)3/h4-5,10H,1-3H3
InChIKey
XTVCCQJYRXUVNH-UHFFFAOYSA-N
Compound name
2-(3-methylimidazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

140.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.8
[M+Na]+ 163.084178 139.0
[M-H]- 139.087684 130.0
[M+NH4]+ 158.128783 150.4
[M+K]+ 179.058118 137.7
[M+H-H2O]+ 123.092220 124.0
[M+HCOO]- 185.093161 150.3
[M+CH3COO]- 199.108811 171.6
[M+Na-2H]- 161.069626 136.1
[M]+ 140.09441142 130.2
[M]- 140.09550858 130.2
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