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

5279
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.