CID 772233

1-(3-methylbenzoyl)piperidine-4-carboxamide

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1=CC(=CC=C1)C(=O)N2CCC(CC2)C(=O)N
InChI
InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)
InChIKey
VSYPROQBASLXDK-UHFFFAOYSA-N
Compound name
1-(3-methylbenzoyl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 157.5
[M+Na]+ 269.126048 162.1
[M-H]- 245.129554 161.7
[M+NH4]+ 264.170653 172.5
[M+K]+ 285.099988 159.2
[M+H-H2O]+ 229.134090 149.4
[M+HCOO]- 291.135031 175.5
[M+CH3COO]- 305.150681 195.8
[M+Na-2H]- 267.111496 158.2
[M]+ 246.13628142 152.1
[M]- 246.13737858 152.1
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

No patent data available for this compound.