CID 3023787

1-acetyl-2-(2-chloroethyl)pyrrolidine

Structural Information

Molecular Formula
C8H14ClNO
SMILES
CC(=O)N1CCCC1CCCl
InChI
InChI=1S/C8H14ClNO/c1-7(11)10-6-2-3-8(10)4-5-9/h8H,2-6H2,1H3
InChIKey
WLNNEGUFXLRIMD-UHFFFAOYSA-N
Compound name
1-[2-(2-chloroethyl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07639 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.083666 139.0
[M+Na]+ 198.065608 146.5
[M-H]- 174.069114 140.7
[M+NH4]+ 193.110213 160.6
[M+K]+ 214.039548 143.7
[M+H-H2O]+ 158.073650 133.7
[M+HCOO]- 220.074591 155.1
[M+CH3COO]- 234.090241 178.1
[M+Na-2H]- 196.051056 140.9
[M]+ 175.07584142 139.0
[M]- 175.07693858 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.