CID 3065810

108971-39-7

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CC(CC(=O)NC1=CC(=CC=C1)Cl)N2CCCCC2
InChI
InChI=1S/C15H21ClN2O/c1-12(18-8-3-2-4-9-18)10-15(19)17-14-7-5-6-13(16)11-14/h5-7,11-12H,2-4,8-10H2,1H3,(H,17,19)
InChIKey
BIRNOVNYOIVIKI-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.141526 166.1
[M+Na]+ 303.123468 169.7
[M-H]- 279.126974 169.8
[M+NH4]+ 298.168073 180.6
[M+K]+ 319.097408 165.1
[M+H-H2O]+ 263.131510 158.1
[M+HCOO]- 325.132451 179.3
[M+CH3COO]- 339.148101 200.6
[M+Na-2H]- 301.108916 167.4
[M]+ 280.13370142 163.0
[M]- 280.13479858 163.0
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.