CID 16226883

1-(2-chloroacetyl)piperidine-3-carboxamide

Structural Information

Molecular Formula
C8H13ClN2O2
SMILES
C1CC(CN(C1)C(=O)CCl)C(=O)N
InChI
InChI=1S/C8H13ClN2O2/c9-4-7(12)11-3-1-2-6(5-11)8(10)13/h6H,1-5H2,(H2,10,13)
InChIKey
BIXIPUBTNRBWMM-UHFFFAOYSA-N
Compound name
1-(2-chloroacetyl)piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.06656 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07384 143.6
[M+Na]+ 227.05578 149.2
[M-H]- 203.05928 144.5
[M+NH4]+ 222.10038 161.3
[M+K]+ 243.02972 146.5
[M+H-H2O]+ 187.06382 137.9
[M+HCOO]- 249.06476 157.5
[M+CH3COO]- 263.08041 184.6
[M+Na-2H]- 225.04123 145.0
[M]+ 204.06601 140.0
[M]- 204.06711 140.0
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

patents stripe