CID 102355721

15-phenyl-9e-pentadecenoic acid

Structural Information

Molecular Formula
C21H32O2
SMILES
C1=CC=C(C=C1)CCCCC/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C21H32O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h1,3,11,13-14,17-18H,2,4-10,12,15-16,19H2,(H,22,23)/b3-1+
InChIKey
MAPMHNVZASSSQK-HNQUOIGGSA-N
Compound name
(E)-15-phenylpentadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.24023 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 184.0
[M+Na]+ 339.22945 186.1
[M-H]- 315.23295 183.9
[M+NH4]+ 334.27405 197.5
[M+K]+ 355.20339 180.6
[M+H-H2O]+ 299.23749 176.1
[M+HCOO]- 361.23843 202.8
[M+CH3COO]- 375.25408 207.3
[M+Na-2H]- 337.21490 183.9
[M]+ 316.23968 187.1
[M]- 316.24078 187.1
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.