CID 60288

Brn 0293703

Structural Information

Molecular Formula
C19H23NO3
SMILES
CCOC(=O)C1CCCN(C1)CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C19H23NO3/c1-2-23-19(22)15-7-5-11-20(12-15)13-17-16-8-4-3-6-14(16)9-10-18(17)21/h3-4,6,8-10,15,21H,2,5,7,11-13H2,1H3
InChIKey
QVCOJNSOQPFNPA-UHFFFAOYSA-N
Compound name
ethyl 1-[(2-hydroxynaphthalen-1-yl)methyl]piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 175.1
[M+Na]+ 336.157018 179.8
[M-H]- 312.160524 178.8
[M+NH4]+ 331.201623 188.3
[M+K]+ 352.130958 175.4
[M+H-H2O]+ 296.165060 166.1
[M+HCOO]- 358.166001 190.0
[M+CH3COO]- 372.181651 204.9
[M+Na-2H]- 334.142466 176.9
[M]+ 313.16725142 172.9
[M]- 313.16834858 172.9
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.