CID 155822736

2567503-32-4

Structural Information

Molecular Formula
C15H17NO3
SMILES
C=CC(=O)N1CCCC(C1)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C15H17NO3/c1-2-14(17)16-8-4-7-13(10-16)11-5-3-6-12(9-11)15(18)19/h2-3,5-6,9,13H,1,4,7-8,10H2,(H,18,19)
InChIKey
YNELEIMKUZELMX-UHFFFAOYSA-N
Compound name
3-(1-prop-2-enoylpiperidin-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 159.4
[M+Na]+ 282.11007 164.1
[M-H]- 258.11357 162.5
[M+NH4]+ 277.15467 173.5
[M+K]+ 298.08401 160.5
[M+H-H2O]+ 242.11811 151.6
[M+HCOO]- 304.11905 175.5
[M+CH3COO]- 318.13470 193.3
[M+Na-2H]- 280.09552 159.8
[M]+ 259.12030 154.8
[M]- 259.12140 154.8
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.