CID 81669

1-(2-chloroethyl)pyrrolidine

Structural Information

Molecular Formula
C6H12ClN
SMILES
C1CCN(C1)CCCl
InChI
InChI=1S/C6H12ClN/c7-3-6-8-4-1-2-5-8/h1-6H2
InChIKey
RMGFLMXDCGQKPS-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

4460
Patents

133.06583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07311 128.2
[M+Na]+ 156.05505 135.3
[M-H]- 132.05855 129.5
[M+NH4]+ 151.09965 151.1
[M+K]+ 172.02899 132.9
[M+H-H2O]+ 116.06309 122.6
[M+HCOO]- 178.06403 145.4
[M+CH3COO]- 192.07968 169.9
[M+Na-2H]- 154.04050 132.9
[M]+ 133.06528 126.8
[M]- 133.06638 126.8
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