CID 494498

6,9-epoxy nonadec-18-ene-7,10-diol

Structural Information

Molecular Formula
C19H36O3
SMILES
CCCCCC1C(CC(O1)C(CCCCCCCC=C)O)O
InChI
InChI=1S/C19H36O3/c1-3-5-7-8-9-10-12-13-16(20)19-15-17(21)18(22-19)14-11-6-4-2/h3,16-21H,1,4-15H2,2H3
InChIKey
ZPHRIOPZYRKRRG-UHFFFAOYSA-N
Compound name
5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.26645 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.27373 185.1
[M+Na]+ 335.25567 187.0
[M-H]- 311.25917 184.5
[M+NH4]+ 330.30027 199.0
[M+K]+ 351.22961 183.6
[M+H-H2O]+ 295.26371 178.9
[M+HCOO]- 357.26465 199.9
[M+CH3COO]- 371.28030 205.4
[M+Na-2H]- 333.24112 181.2
[M]+ 312.26590 187.0
[M]- 312.26700 187.0
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

No patent data available for this compound.