CID 23175760

3-(1-methyl-1h-imidazol-2-yl)propan-1-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CN1C=CN=C1CCCO
InChI
InChI=1S/C7H12N2O/c1-9-5-4-8-7(9)3-2-6-10/h4-5,10H,2-3,6H2,1H3
InChIKey
GYLAKOUCKWSZPG-UHFFFAOYSA-N
Compound name
3-(1-methylimidazol-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

140.09496 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.1
[M+Na]+ 163.084178 137.8
[M-H]- 139.087684 128.8
[M+NH4]+ 158.128783 149.4
[M+K]+ 179.058118 136.1
[M+H-H2O]+ 123.092220 122.5
[M+HCOO]- 185.093161 151.1
[M+CH3COO]- 199.108811 171.3
[M+Na-2H]- 161.069626 134.7
[M]+ 140.09441142 129.9
[M]- 140.09550858 129.9
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