CID 6072217

Alpha-propenylmandelic acid 1-methyl-4-piperidyl ester

Structural Information

Molecular Formula
C17H23NO3
SMILES
C/C=C/C(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C17H23NO3/c1-3-11-17(20,14-7-5-4-6-8-14)16(19)21-15-9-12-18(2)13-10-15/h3-8,11,15,20H,9-10,12-13H2,1-2H3/b11-3+
InChIKey
IHXKWUOCAVXMOP-QDEBKDIKSA-N
Compound name
(1-methylpiperidin-4-yl) (E)-2-hydroxy-2-phenylpent-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 170.0
[M+Na]+ 312.15702 180.2
[M+NH4]+ 307.20162 176.2
[M+K]+ 328.13096 174.6
[M-H]- 288.16052 171.3
[M+Na-2H]- 310.14247 175.1
[M]+ 289.16725 171.6
[M]- 289.16835 171.6
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.