CID 129646631

Hydroxy nonadecenoic acid

Structural Information

Molecular Formula
C19H36O3
SMILES
CCCCCCCCCCCCCCCCC=C(C(=O)O)O
InChI
InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h17,20H,2-16H2,1H3,(H,21,22)
InChIKey
NUVFKWYOXGZLHE-UHFFFAOYSA-N
Compound name
2-hydroxynonadec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.26645 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.27373 186.3
[M+Na]+ 335.25567 187.3
[M-H]- 311.25917 181.4
[M+NH4]+ 330.30027 199.5
[M+K]+ 351.22961 183.1
[M+H-H2O]+ 295.26371 179.7
[M+HCOO]- 357.26465 201.8
[M+CH3COO]- 371.28030 206.1
[M+Na-2H]- 333.24112 182.8
[M]+ 312.26590 190.2
[M]- 312.26700 190.2
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.