CID 47152

Aziridinium, 1,1-bis(2-chloroethyl)-, chloride

Structural Information

Molecular Formula
C6H12Cl2N
SMILES
C1C[N+]1(CCCl)CCCl
InChI
InChI=1S/C6H12Cl2N/c7-1-3-9(4-2-8)5-6-9/h1-6H2/q+1
InChIKey
DEKSJFWGYBWWSY-UHFFFAOYSA-N
Compound name
1,1-bis(2-chloroethyl)aziridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03468 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04196 122.5
[M+Na]+ 191.02390 132.2
[M-H]- 167.02740 124.6
[M+NH4]+ 186.06850 139.7
[M+K]+ 206.99784 123.7
[M+H-H2O]+ 151.03194 121.1
[M+HCOO]- 213.03288 135.4
[M+CH3COO]- 227.04853 174.4
[M+Na-2H]- 189.00935 132.4
[M]+ 168.03413 125.6
[M]- 168.03523 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.