CID 1991140

1-(2-chloroacetyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H12ClNO3
SMILES
C1CN(CCC1C(=O)O)C(=O)CCl
InChI
InChI=1S/C8H12ClNO3/c9-5-7(11)10-3-1-6(2-4-10)8(12)13/h6H,1-5H2,(H,12,13)
InChIKey
PEQVHRULPWCLOJ-UHFFFAOYSA-N
Compound name
1-(2-chloroacetyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

205.05057 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.057846 141.3
[M+Na]+ 228.039788 147.4
[M-H]- 204.043294 141.5
[M+NH4]+ 223.084393 158.9
[M+K]+ 244.013728 144.8
[M+H-H2O]+ 188.047830 136.2
[M+HCOO]- 250.048771 153.6
[M+CH3COO]- 264.064421 179.8
[M+Na-2H]- 226.025236 143.2
[M]+ 205.05002142 139.1
[M]- 205.05111858 139.1
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