CID 5363234

Decyl oleate

Structural Information

Molecular Formula
C28H54O2
SMILES
CCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-
InChIKey
SASYSVUEVMOWPL-NXVVXOECSA-N
Compound name
decyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

49700
Patents

422.41238 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.41966 221.8
[M+Na]+ 445.40160 220.3
[M-H]- 421.40510 217.9
[M+NH4]+ 440.44620 222.3
[M+K]+ 461.37554 214.5
[M+H-H2O]+ 405.40964 213.2
[M+HCOO]- 467.41058 234.3
[M+CH3COO]- 481.42623 234.5
[M+Na-2H]- 443.38705 215.9
[M]+ 422.41183 232.1
[M]- 422.41293 232.1
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