CID 109508

2-(2-methyl-1h-imidazol-1-yl)-1-propanol

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC1=NC=CN1C(C)CO

InChI

InChI=1S/C7H12N2O/c1-6(5-10)9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3

InChIKey

SZDCMPPNMYJCAC-UHFFFAOYSA-N

Compound name

2-(2-methylimidazol-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 140.09496 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe