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]+ 313.273726 185.0
[M+Na]+ 335.255668 187.3
[M-H]- 311.259174 183.0
[M+NH4]+ 330.300273 199.9
[M+K]+ 351.229608 184.3
[M+H-H2O]+ 295.263710 177.9
[M+HCOO]- 357.264651 204.7
[M+CH3COO]- 371.280301 209.8
[M+Na-2H]- 333.241116 183.9
[M]+ 312.26590142 193.4
[M]- 312.26699858 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

literature stripe

Patent stripe

patents stripe