CID 13199359

4-cyclohexyl-1-naphthaleneacetic acid

Structural Information

Molecular Formula
C18H20O2
SMILES
C1CCC(CC1)C2=CC=C(C3=CC=CC=C23)CC(=O)O
InChI
InChI=1S/C18H20O2/c19-18(20)12-14-10-11-16(13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h4-5,8-11,13H,1-3,6-7,12H2,(H,19,20)
InChIKey
BPXITDRZRADOHD-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylnaphthalen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.14633 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 163.4
[M+Na]+ 291.13555 176.8
[M+NH4]+ 286.18015 172.7
[M+K]+ 307.10949 168.6
[M-H]- 267.13905 168.2
[M+Na-2H]- 289.12100 170.5
[M]+ 268.14578 166.7
[M]- 268.14688 166.7
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

patents stripe