CID 2757374

672309-93-2

Structural Information

Molecular Formula
C13H13NO4
SMILES
C1CN(CCC1=O)C(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H13NO4/c15-11-5-7-14(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18/h1-4H,5-8H2,(H,17,18)
InChIKey
XXONJRIUBHNYLZ-UHFFFAOYSA-N
Compound name
4-(4-oxopiperidine-1-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

247.08446 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.091736 153.0
[M+Na]+ 270.073678 158.5
[M-H]- 246.077184 156.6
[M+NH4]+ 265.118283 167.6
[M+K]+ 286.047618 156.0
[M+H-H2O]+ 230.081720 145.4
[M+HCOO]- 292.082661 170.0
[M+CH3COO]- 306.098311 189.5
[M+Na-2H]- 268.059126 154.6
[M]+ 247.08391142 149.3
[M]- 247.08500858 149.3
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