CID 102355720

13-phenyl-9e-tridecenoic acid

Structural Information

Molecular Formula
C19H28O2
SMILES
C1=CC=C(C=C1)CCC/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C19H28O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h3,5,9,11-12,15-16H,1-2,4,6-8,10,13-14,17H2,(H,20,21)/b5-3+
InChIKey
PTHXJDIHJNGHDK-HWKANZROSA-N
Compound name
(E)-13-phenyltridec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.20892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 175.0
[M+Na]+ 311.19814 178.0
[M-H]- 287.20164 175.3
[M+NH4]+ 306.24274 189.6
[M+K]+ 327.17208 172.9
[M+H-H2O]+ 271.20618 167.6
[M+HCOO]- 333.20712 194.5
[M+CH3COO]- 347.22277 201.3
[M+Na-2H]- 309.18359 176.0
[M]+ 288.20837 177.4
[M]- 288.20947 177.4
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.