CID 201611

6389-46-4

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC(CCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C20H25NO2/c1-20(19(22)23,12-15-21-13-5-2-6-14-21)18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23)
InChIKey
JYCOAINCHDFRNB-UHFFFAOYSA-N
Compound name
2-methyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.4
[M+Na]+ 334.17776 188.3
[M+NH4]+ 329.22236 184.3
[M+K]+ 350.15170 181.0
[M-H]- 310.18126 179.6
[M+Na-2H]- 332.16321 182.7
[M]+ 311.18799 179.0
[M]- 311.18909 179.0
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.