CID 134812129

19-phenyl-15e-nonadecenoic acid

Structural Information

Molecular Formula
C25H40O2
SMILES
C1=CC=C(C=C1)CCC/C=C/CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C25H40O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h9,11,15,17-18,21-22H,1-8,10,12-14,16,19-20,23H2,(H,26,27)/b11-9+
InChIKey
FFXFMWOKFMTJFQ-PKNBQFBNSA-N
Compound name
(E)-19-phenylnonadec-15-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.30283 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.31011 201.8
[M+Na]+ 395.29205 202.1
[M-H]- 371.29555 200.8
[M+NH4]+ 390.33665 212.9
[M+K]+ 411.26599 195.6
[M+H-H2O]+ 355.30009 193.1
[M+HCOO]- 417.30103 219.2
[M+CH3COO]- 431.31668 219.1
[M+Na-2H]- 393.27750 199.5
[M]+ 372.30228 206.3
[M]- 372.30338 206.3
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.