CID 89057342

Schembl13300532

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCC(/C=C/C=C\C/C=C\CCCCCC(=O)O)O
InChI
InChI=1S/C19H32O3/c1-2-3-12-15-18(20)16-13-10-8-6-4-5-7-9-11-14-17-19(21)22/h4-5,8,10,13,16,18,20H,2-3,6-7,9,11-12,14-15,17H2,1H3,(H,21,22)/b5-4-,10-8-,16-13+
InChIKey
XCBZVFDTMZYXJG-MMZHUSJISA-N
Compound name
(7Z,10Z,12E)-14-hydroxynonadeca-7,10,12-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.23514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 183.3
[M+Na]+ 331.22436 185.2
[M-H]- 307.22786 178.6
[M+NH4]+ 326.26896 196.7
[M+K]+ 347.19830 179.7
[M+H-H2O]+ 291.23240 177.0
[M+HCOO]- 353.23334 199.4
[M+CH3COO]- 367.24899 203.1
[M+Na-2H]- 329.20981 180.0
[M]+ 308.23459 185.7
[M]- 308.23569 185.7
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

patents stripe