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

4
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 162.4
[M+Na]+ 291.13555 166.8
[M-H]- 267.13905 167.4
[M+NH4]+ 286.18015 178.5
[M+K]+ 307.10949 162.0
[M+H-H2O]+ 251.14359 154.7
[M+HCOO]- 313.14453 178.9
[M+CH3COO]- 327.16018 196.6
[M+Na-2H]- 289.12100 165.3
[M]+ 268.14578 157.6
[M]- 268.14688 157.6
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