CID 426328

2-(chloromethyl)-4,5-dihydro-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C4H7ClN2
SMILES
C1CN=C(N1)CCl
InChI
InChI=1S/C4H7ClN2/c5-3-4-6-1-2-7-4/h1-3H2,(H,6,7)
InChIKey
YFBPRBZDQSMTKG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

118.02978 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03706 121.0
[M+Na]+ 141.01900 129.7
[M-H]- 117.02250 120.1
[M+NH4]+ 136.06360 142.5
[M+K]+ 156.99294 126.6
[M+H-H2O]+ 101.02704 115.0
[M+HCOO]- 163.02798 137.5
[M+CH3COO]- 177.04363 163.5
[M+Na-2H]- 139.00445 127.3
[M]+ 118.02923 119.0
[M]- 118.03033 119.0
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