CID 52908108

1-(2-chloroacetyl)-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide

Structural Information

Molecular Formula
C12H21ClN2O2
SMILES
CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CCl
InChI
InChI=1S/C12H21ClN2O2/c1-9(2)14(3)12(17)10-4-6-15(7-5-10)11(16)8-13/h9-10H,4-8H2,1-3H3
InChIKey
SNULIZXLTYDOAW-UHFFFAOYSA-N
Compound name
1-(2-chloroacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.12915 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13643 160.1
[M+Na]+ 283.11837 164.1
[M-H]- 259.12187 162.5
[M+NH4]+ 278.16297 176.5
[M+K]+ 299.09231 162.7
[M+H-H2O]+ 243.12641 153.8
[M+HCOO]- 305.12735 173.0
[M+CH3COO]- 319.14300 201.0
[M+Na-2H]- 281.10382 158.7
[M]+ 260.12860 159.8
[M]- 260.12970 159.8
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