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 172.1
[M-H]- 288.16052 171.8
[M+NH4]+ 307.20162 182.0
[M+K]+ 328.13096 169.2
[M+H-H2O]+ 272.16506 161.4
[M+HCOO]- 334.16600 182.8
[M+CH3COO]- 348.18165 199.2
[M+Na-2H]- 310.14247 170.1
[M]+ 289.16725 165.1
[M]- 289.16835 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.