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]+ 290.175076 169.1
[M+Na]+ 312.157018 172.1
[M-H]- 288.160524 171.8
[M+NH4]+ 307.201623 182.0
[M+K]+ 328.130958 169.2
[M+H-H2O]+ 272.165060 161.4
[M+HCOO]- 334.166001 182.8
[M+CH3COO]- 348.181651 199.2
[M+Na-2H]- 310.142466 170.1
[M]+ 289.16725142 165.1
[M]- 289.16834858 165.1
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.