CID 6438056

Peroxyoleic acid, methyl ester

Structural Information

Molecular Formula
C19H36O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OOC
InChI
InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)22-21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
InChIKey
SVWJXEGKYDLPRN-KHPPLWFESA-N
Compound name
methyl (Z)-octadec-9-eneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.26645 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.27373 185.0
[M+Na]+ 335.25567 187.3
[M-H]- 311.25917 183.0
[M+NH4]+ 330.30027 199.9
[M+K]+ 351.22961 184.3
[M+H-H2O]+ 295.26371 177.9
[M+HCOO]- 357.26465 204.7
[M+CH3COO]- 371.28030 209.8
[M+Na-2H]- 333.24112 183.9
[M]+ 312.26590 193.4
[M]- 312.26700 193.4
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.