CID 6455425

Beta,beta-dimethyl-1h-imidazole-2-ethanol

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC(C)(CO)C1=NC=CN1

InChI

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

InChIKey

IISXZANEXOGTTM-UHFFFAOYSA-N

Compound name

2-(1H-imidazol-2-yl)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 140.09496 Da
Monoisotopic Mass: 0.5
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	131.1
[M+Na]+	163.084178	138.8
[M-H]-	139.087684	129.4
[M+NH4]+	158.128783	150.5
[M+K]+	179.058118	136.7
[M+H-H2O]+	123.092220	125.2
[M+HCOO]-	185.093161	150.0
[M+CH3COO]-	199.108811	167.8
[M+Na-2H]-	161.069626	137.5
[M]+	140.09441142	129.1
[M]-	140.09550858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe