CID 12456207

51605-33-5

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CC1=C(N=CN1)CCl
InChI
InChI=1S/C5H7ClN2/c1-4-5(2-6)8-3-7-4/h3H,2H2,1H3,(H,7,8)
InChIKey
APZXPRHPPCTRHN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

130.02977 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 123.1
[M+Na]+ 153.01899 133.4
[M-H]- 129.02249 122.8
[M+NH4]+ 148.06359 144.7
[M+K]+ 168.99293 129.8
[M+H-H2O]+ 113.02703 117.4
[M+HCOO]- 175.02797 140.8
[M+CH3COO]- 189.04362 167.2
[M+Na-2H]- 151.00444 129.2
[M]+ 130.02922 123.4
[M]- 130.03032 123.4
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