CID 5312752

14-hydroxy-12-tetradecenoic acid

Structural Information

Molecular Formula
C14H26O3
SMILES
C(CCCCCC(=O)O)CCCC/C=C/CO
InChI
InChI=1S/C14H26O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h9,11,15H,1-8,10,12-13H2,(H,16,17)/b11-9+
InChIKey
ICTIYYVVZNILKD-PKNBQFBNSA-N
Compound name
(E)-14-hydroxytetradec-12-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.19548 163.2
[M+Na]+ 265.17742 166.6
[M-H]- 241.18092 159.3
[M+NH4]+ 260.22202 179.4
[M+K]+ 281.15136 163.1
[M+H-H2O]+ 225.18546 157.5
[M+HCOO]- 287.18640 181.5
[M+CH3COO]- 301.20205 190.3
[M+Na-2H]- 263.16287 163.8
[M]+ 242.18765 165.9
[M]- 242.18875 165.9
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.