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
3
Annotation Hits

9
References

5287
Patents

133.06583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.073106 128.2
[M+Na]+ 156.055048 135.3
[M-H]- 132.058554 129.5
[M+NH4]+ 151.099653 151.1
[M+K]+ 172.028988 132.9
[M+H-H2O]+ 116.063090 122.6
[M+HCOO]- 178.064031 145.4
[M+CH3COO]- 192.079681 169.9
[M+Na-2H]- 154.040496 132.9
[M]+ 133.06528142 126.8
[M]- 133.06637858 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