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

34
Patents

146.02469 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.03197 125.6
[M+Na]+ 169.01391 136.8
[M-H]- 145.01741 125.8
[M+NH4]+ 164.05851 146.8
[M+K]+ 184.98785 133.6
[M+H-H2O]+ 129.02195 120.1
[M+HCOO]- 191.02289 143.6
[M+CH3COO]- 205.03854 170.3
[M+Na-2H]- 166.99936 131.0
[M]+ 146.02414 127.7
[M]- 146.02524 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe