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

17
Patents

205.05057 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05785 141.3
[M+Na]+ 228.03979 147.4
[M-H]- 204.04329 141.5
[M+NH4]+ 223.08439 158.9
[M+K]+ 244.01373 144.8
[M+H-H2O]+ 188.04783 136.2
[M+HCOO]- 250.04877 153.6
[M+CH3COO]- 264.06442 179.8
[M+Na-2H]- 226.02524 143.2
[M]+ 205.05002 139.1
[M]- 205.05112 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

No literature data available for this compound.

Patent stripe

patents stripe