CID 134812128

17-phenyl-13e-heptadecenoic acid

Structural Information

Molecular Formula
C23H36O2
SMILES
C1=CC=C(C=C1)CCC/C=C/CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H36O2/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h7,9,13,15-16,19-20H,1-6,8,10-12,14,17-18,21H2,(H,24,25)/b9-7+
InChIKey
JHYURXORMRRZBX-VQHVLOKHSA-N
Compound name
(E)-17-phenylheptadec-13-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.27155 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.27883 192.9
[M+Na]+ 367.26077 194.2
[M-H]- 343.26427 192.4
[M+NH4]+ 362.30537 205.2
[M+K]+ 383.23471 188.1
[M+H-H2O]+ 327.26881 184.6
[M+HCOO]- 389.26975 211.0
[M+CH3COO]- 403.28540 213.2
[M+Na-2H]- 365.24622 191.7
[M]+ 344.27100 196.7
[M]- 344.27210 196.7
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

No patent data available for this compound.