CID 117352

Octadecanoic acid, 9(or 10)-(methylphenyl)-

Structural Information

Molecular Formula
C25H42O2
SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)C1=CC=C(C=C1)C
InChI
InChI=1S/C25H42O2/c1-3-4-5-6-7-9-12-15-23(24-20-18-22(2)19-21-24)16-13-10-8-11-14-17-25(26)27/h18-21,23H,3-17H2,1-2H3,(H,26,27)
InChIKey
PNAYIMIYYPMNRM-UHFFFAOYSA-N
Compound name
9-(4-methylphenyl)octadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.31848 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.32576 201.8
[M+Na]+ 397.30770 210.7
[M+NH4]+ 392.35230 207.3
[M+K]+ 413.28164 201.9
[M-H]- 373.31120 202.4
[M+Na-2H]- 395.29315 203.8
[M]+ 374.31793 203.1
[M]- 374.31903 203.1
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.