CID 46541

6394-77-0

Structural Information

Molecular Formula
C19H23NO2
SMILES
C1CCN(CC1)CCC(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C19H23NO2/c21-19(22)18(11-14-20-12-4-1-5-13-20)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18H,1,4-5,11-14H2,(H,21,22)
InChIKey
VLUKPWFLLZFXLJ-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-4-piperidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.3
[M+Na]+ 320.16210 184.4
[M+NH4]+ 315.20670 180.4
[M+K]+ 336.13604 176.9
[M-H]- 296.16560 175.9
[M+Na-2H]- 318.14755 178.5
[M]+ 297.17233 174.9
[M]- 297.17343 174.9
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.