CID 4176750

2-chloro-1,3-dimethylimidazolinium chloride

Structural Information

Molecular Formula
C5H10ClN2
SMILES
CN1CC[N+](=C1Cl)C
InChI
InChI=1S/C5H10ClN2/c1-7-3-4-8(2)5(7)6/h3-4H2,1-2H3/q+1
InChIKey
DMIXJRHWHHYJOX-UHFFFAOYSA-N
Compound name
2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1880
Patents

133.05325 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06053 123.8
[M+Na]+ 156.04247 134.2
[M-H]- 132.04597 125.1
[M+NH4]+ 151.08707 145.9
[M+K]+ 172.01641 126.7
[M+H-H2O]+ 116.05051 121.0
[M+HCOO]- 178.05145 141.3
[M+CH3COO]- 192.06710 164.9
[M+Na-2H]- 154.02792 131.1
[M]+ 133.05270 123.5
[M]- 133.05380 123.5
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