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]+ 141.10224 129.8
[M+Na]+ 163.08418 139.0
[M-H]- 139.08768 130.0
[M+NH4]+ 158.12878 150.4
[M+K]+ 179.05812 137.7
[M+H-H2O]+ 123.09222 124.0
[M+HCOO]- 185.09316 150.3
[M+CH3COO]- 199.10881 171.6
[M+Na-2H]- 161.06963 136.1
[M]+ 140.09441 130.2
[M]- 140.09551 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