CID 131752556

5-(4-hydroxyphenyl)-2,4-pentadienoic acid piperidide

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1CCN(CC1)C(=O)/C=C/C=C\C2=CC=C(C=C2)O
InChI
InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2-,7-3+
InChIKey
QDAARMDLSCDBFU-MFDSWNTHSA-N
Compound name
(2E,4Z)-5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 162.1
[M+Na]+ 280.130788 165.9
[M-H]- 256.134294 164.6
[M+NH4]+ 275.175393 176.3
[M+K]+ 296.104728 160.9
[M+H-H2O]+ 240.138830 153.9
[M+HCOO]- 302.139771 178.7
[M+CH3COO]- 316.155421 190.7
[M+Na-2H]- 278.116236 163.7
[M]+ 257.14102142 156.4
[M]- 257.14211858 156.4
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