CID 134812126

11-phenyl-7e-undecenoic acid

Structural Information

Molecular Formula
C17H24O2
SMILES
C1=CC=C(C=C1)CCC/C=C/CCCCCC(=O)O
InChI
InChI=1S/C17H24O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h1,3,7,9-10,13-14H,2,4-6,8,11-12,15H2,(H,18,19)/b3-1+
InChIKey
LLUBVBHPXYZHLV-HNQUOIGGSA-N
Compound name
(E)-11-phenylundec-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17764 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 165.9
[M+Na]+ 283.16686 169.8
[M-H]- 259.17036 166.6
[M+NH4]+ 278.21146 181.7
[M+K]+ 299.14080 165.2
[M+H-H2O]+ 243.17490 158.9
[M+HCOO]- 305.17584 186.1
[M+CH3COO]- 319.19149 195.3
[M+Na-2H]- 281.15231 168.0
[M]+ 260.17709 167.5
[M]- 260.17819 167.5
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.