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]+ 313.273726 186.3
[M+Na]+ 335.255668 187.3
[M-H]- 311.259174 181.4
[M+NH4]+ 330.300273 199.5
[M+K]+ 351.229608 183.1
[M+H-H2O]+ 295.263710 179.7
[M+HCOO]- 357.264651 201.8
[M+CH3COO]- 371.280301 206.1
[M+Na-2H]- 333.241116 182.8
[M]+ 312.26590142 190.2
[M]- 312.26699858 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.