CID 134812125

23-phenyl tricosanoic acid

Structural Information

Molecular Formula
C29H50O2
SMILES
C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C29H50O2/c30-29(31)27-23-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-28-25-21-19-22-26-28/h19,21-22,25-26H,1-18,20,23-24,27H2,(H,30,31)
InChIKey
ODISDFBIRZIIOH-UHFFFAOYSA-N
Compound name
23-phenyltricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.38107 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.38835 220.4
[M+Na]+ 453.37029 218.6
[M-H]- 429.37379 218.5
[M+NH4]+ 448.41489 229.1
[M+K]+ 469.34423 211.7
[M+H-H2O]+ 413.37833 210.8
[M+HCOO]- 475.37927 236.2
[M+CH3COO]- 489.39492 232.2
[M+Na-2H]- 451.35574 216.0
[M]+ 430.38052 227.1
[M]- 430.38162 227.1
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.