CID 3025368

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

Structural Information

Molecular Formula
C8H16Cl2N
SMILES
C1CC[N+](C1)(CCCl)CCCl
InChI
InChI=1S/C8H16Cl2N/c9-3-7-11(8-4-10)5-1-2-6-11/h1-8H2/q+1
InChIKey
VUZOCDCUGWYJFV-UHFFFAOYSA-N
Compound name
1,1-bis(2-chloroethyl)pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07326 140.5
[M+Na]+ 219.05520 147.5
[M-H]- 195.05870 141.0
[M+NH4]+ 214.09980 162.9
[M+K]+ 235.02914 137.9
[M+H-H2O]+ 179.06324 138.6
[M+HCOO]- 241.06418 151.4
[M+CH3COO]- 255.07983 174.2
[M+Na-2H]- 217.04065 146.5
[M]+ 196.06543 139.0
[M]- 196.06653 139.0
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.