CID 77312

(chloromethylene)dimethylammonium chloride

Structural Information

Molecular Formula
C3H7ClN
SMILES
C[N+](=CCl)C
InChI
InChI=1S/C3H7ClN/c1-5(2)3-4/h3H,1-2H3/q+1
InChIKey
RXFZQWIYCJKAMJ-UHFFFAOYSA-N
Compound name
chloromethylidene(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10419
Patents

92.0267 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.033976 112.4
[M+Na]+ 115.015918 121.3
[M-H]- 91.019424 114.8
[M+NH4]+ 110.060523 137.1
[M+K]+ 130.989858 115.3
[M+H-H2O]+ 75.023960 112.2
[M+HCOO]- 137.024901 134.1
[M+CH3COO]- 151.040551 162.1
[M+Na-2H]- 113.001366 122.4
[M]+ 92.02615142 112.7
[M]- 92.02724858 112.7
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