CID 109508

68132-82-1

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

2
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]+	141.102236	129.5
[M+Na]+	163.084178	138.0
[M-H]-	139.087684	129.4
[M+NH4]+	158.128783	149.8
[M+K]+	179.058118	136.8
[M+H-H2O]+	123.092220	123.0
[M+HCOO]-	185.093161	150.6
[M+CH3COO]-	199.108811	172.1
[M+Na-2H]-	161.069626	133.9
[M]+	140.09441142	129.7
[M]-	140.09550858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe