CID 14638329

(5-chloro-1-methyl-1h-imidazol-2-yl)methanol

Structural Information

Molecular Formula

C₅H₇ClN₂O

SMILES

CN1C(=CN=C1CO)Cl

InChI

InChI=1S/C5H7ClN2O/c1-8-4(6)2-7-5(8)3-9/h2,9H,3H2,1H3

InChIKey

WVYWXQMEOXPVNO-UHFFFAOYSA-N

Compound name

(5-chloro-1-methylimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 146.02469 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]+	147.031966	125.6
[M+Na]+	169.013908	136.8
[M-H]-	145.017414	125.8
[M+NH4]+	164.058513	146.8
[M+K]+	184.987848	133.6
[M+H-H2O]+	129.021950	120.1
[M+HCOO]-	191.022891	143.6
[M+CH3COO]-	205.038541	170.3
[M+Na-2H]-	166.999356	131.0
[M]+	146.02414142	127.7
[M]-	146.02523858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe