CID 6436737

Isodecyl oleate

Structural Information

Molecular Formula
C28H54O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h11-12,27H,4-10,13-26H2,1-3H3/b12-11-
InChIKey
ODMZDMMTKHXXKA-QXMHVHEDSA-N
Compound name
8-methylnonyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11830
Patents

422.41238 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.41966 219.3
[M+Na]+ 445.40160 224.9
[M+NH4]+ 440.44620 223.6
[M+K]+ 461.37554 223.6
[M-H]- 421.40510 209.3
[M+Na-2H]- 443.38705 216.9
[M]+ 422.41183 219.1
[M]- 422.41293 219.1
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