CID 9877392

[4-(propan-2-yl)-1h-imidazol-2-yl]methanol

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC(C)C1=CN=C(N1)CO

InChI

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

InChIKey

JXAXECYHMJAGMJ-UHFFFAOYSA-N

Compound name

(5-propan-2-yl-1H-imidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.09496 Da
Monoisotopic Mass: 0.4
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	130.2
[M+Na]+	163.08418	140.5
[M+NH4]+	158.12878	137.3
[M+K]+	179.05812	137.8
[M-H]-	139.08768	129.3
[M+Na-2H]-	161.06963	134.3
[M]+	140.09441	131.1
[M]-	140.09551	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe