CID 20095412

1-benzoyl-2-methylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC1(CCCCN1C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO3/c1-14(13(17)18)9-5-6-10-15(14)12(16)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,18)
InChIKey
OFNWTLAASXRJGP-UHFFFAOYSA-N
Compound name
1-benzoyl-2-methylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.12085 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.7
[M+Na]+ 270.11007 161.7
[M-H]- 246.11357 160.1
[M+NH4]+ 265.15467 173.3
[M+K]+ 286.08401 159.2
[M+H-H2O]+ 230.11811 149.5
[M+HCOO]- 292.11905 173.0
[M+CH3COO]- 306.13470 189.4
[M+Na-2H]- 268.09552 159.5
[M]+ 247.12030 152.5
[M]- 247.12140 152.5
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