CID 5318367

11-hydroxy-9-tridecenoic acid

Structural Information

Molecular Formula
C13H24O3
SMILES
CCC(/C=C/CCCCCCCC(=O)O)O
InChI
InChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+
InChIKey
NSVPCFNUUARRKL-CSKARUKUSA-N
Compound name
(E)-11-hydroxytridec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

228.17255 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 159.3
[M+Na]+ 251.16177 162.9
[M-H]- 227.16527 155.6
[M+NH4]+ 246.20637 176.0
[M+K]+ 267.13571 160.2
[M+H-H2O]+ 211.16981 153.9
[M+HCOO]- 273.17075 176.9
[M+CH3COO]- 287.18640 188.2
[M+Na-2H]- 249.14722 159.1
[M]+ 228.17200 161.0
[M]- 228.17310 161.0
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