CID 20838721

Dtxsid001295785

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC=O
InChI
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20/h9-10,19H,2-8,11-18H2,1H3/b10-9-
InChIKey
AACPMFMDWVGRRY-KTKRTIGZSA-N
Compound name
[(Z)-octadec-9-enyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

296.27155 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 180.1
[M+Na]+ 319.26077 188.2
[M+NH4]+ 314.30537 185.6
[M+K]+ 335.23471 179.0
[M-H]- 295.26427 178.7
[M+Na-2H]- 317.24622 180.7
[M]+ 296.27100 180.5
[M]- 296.27210 180.5
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

patents stripe