CID 140324

10-phenyldecanoic acid

Structural Information

Molecular Formula
C16H24O2
SMILES
C1=CC=C(C=C1)CCCCCCCCCC(=O)O
InChI
InChI=1S/C16H24O2/c17-16(18)14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2,(H,17,18)
InChIKey
IISIYJPTBDSIFM-UHFFFAOYSA-N
Compound name
10-phenyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

186
Patents

248.17763 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 162.2
[M+Na]+ 271.16685 173.0
[M+NH4]+ 266.21145 169.4
[M+K]+ 287.14079 165.3
[M-H]- 247.17035 163.4
[M+Na-2H]- 269.15230 167.1
[M]+ 248.17708 163.9
[M]- 248.17818 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe