CID 56502

92956-13-3

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(=C)C(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C17H23NO3/c1-13(2)17(20,14-7-5-4-6-8-14)16(19)21-15-9-11-18(3)12-10-15/h4-8,15,20H,1,9-12H2,2-3H3
InChIKey
YIXLGEYTLLIJSR-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 169.1
[M+Na]+ 312.15702 178.9
[M+NH4]+ 307.20162 175.2
[M+K]+ 328.13096 174.2
[M-H]- 288.16052 170.2
[M+Na-2H]- 310.14247 173.9
[M]+ 289.16725 170.6
[M]- 289.16835 170.6
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.