CID 10353926

1-benzyl-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CC(=O)N(CC1C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKey
QQVADMMBTIQOOR-UHFFFAOYSA-N
Compound name
1-benzyl-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 151.6
[M+Na]+ 256.09442 157.1
[M-H]- 232.09792 155.0
[M+NH4]+ 251.13902 166.9
[M+K]+ 272.06836 154.0
[M+H-H2O]+ 216.10246 143.9
[M+HCOO]- 278.10340 169.2
[M+CH3COO]- 292.11905 187.8
[M+Na-2H]- 254.07987 154.2
[M]+ 233.10465 147.7
[M]- 233.10575 147.7
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