CID 6433037

2-hexyldecyl oleate

Structural Information

Molecular Formula
C34H66O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC
InChI
InChI=1S/C34H66O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-25-28-31-34(35)36-32-33(29-26-12-9-6-3)30-27-24-14-11-8-5-2/h18-19,33H,4-17,20-32H2,1-3H3/b19-18-
InChIKey
CKGLIVPMTMQFHL-HNENSFHCSA-N
Compound name
2-hexyldecyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

286
Patents

506.5063 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.51358 244.2
[M+Na]+ 529.49552 251.1
[M-H]- 505.49902 227.7
[M+NH4]+ 524.54012 244.6
[M+K]+ 545.46946 251.6
[M+H-H2O]+ 489.50356 244.6
[M+HCOO]- 551.50450 250.6
[M+CH3COO]- 565.52015 252.3
[M+Na-2H]- 527.48097 229.9
[M]+ 506.50575 245.1
[M]- 506.50685 245.1
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

patents stripe