CID 15080234

4-(chloromethyl)-2-methyl-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CC1=NC=C(N1)CCl
InChI
InChI=1S/C5H7ClN2/c1-4-7-3-5(2-6)8-4/h3H,2H2,1H3,(H,7,8)
InChIKey
VAVBLSHGHBUHAL-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

130.02977 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.037046 123.1
[M+Na]+ 153.018988 133.4
[M-H]- 129.022494 122.8
[M+NH4]+ 148.063593 144.7
[M+K]+ 168.992928 129.8
[M+H-H2O]+ 113.027030 117.4
[M+HCOO]- 175.027971 140.8
[M+CH3COO]- 189.043621 167.2
[M+Na-2H]- 151.004436 129.2
[M]+ 130.02922142 123.4
[M]- 130.03031858 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

No literature data available for this compound.

Patent stripe

patents stripe