CID 2757504

1-(2-chloroethyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C5H7ClN2
SMILES
C1=CN(C=N1)CCCl
InChI
InChI=1S/C5H7ClN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2
InChIKey
WQRYDDUXWFSPQG-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
Patents

130.02977 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 122.7
[M+Na]+ 153.01899 132.3
[M-H]- 129.02249 123.3
[M+NH4]+ 148.06359 144.5
[M+K]+ 168.99293 129.8
[M+H-H2O]+ 113.02703 116.2
[M+HCOO]- 175.02797 141.8
[M+CH3COO]- 189.04362 168.9
[M+Na-2H]- 151.00444 129.9
[M]+ 130.02922 124.4
[M]- 130.03032 124.4
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