CID 94114

N,n-dimethyl-1-chloroethyliminium chloride

Structural Information

Molecular Formula
C4H9ClN
SMILES
CC(=[N+](C)C)Cl
InChI
InChI=1S/C4H9ClN/c1-4(5)6(2)3/h1-3H3/q+1
InChIKey
PHBDMKKVVZEBCQ-UHFFFAOYSA-N
Compound name
1-chloroethylidene(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

106.04235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.04963 117.0
[M+Na]+ 129.03157 125.2
[M-H]- 105.03507 119.3
[M+NH4]+ 124.07617 141.1
[M+K]+ 145.00551 119.4
[M+H-H2O]+ 89.039610 116.7
[M+HCOO]- 151.04055 137.4
[M+CH3COO]- 165.05620 165.9
[M+Na-2H]- 127.01702 125.2
[M]+ 106.04180 117.0
[M]- 106.04290 117.0
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