CID 134726124

Chebi:194145

Structural Information

Molecular Formula
C35H66O4
SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)OC(=O)CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C35H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-19-24-28-32-35(38)39-33(29-25-21-18-10-8-6-4-2)30-26-22-20-23-27-31-34(36)37/h12-13,33H,3-11,14-32H2,1-2H3,(H,36,37)/b13-12-
InChIKey
DCCKTKSMIHVHQQ-SEYXRHQNSA-N
Compound name
9-[(Z)-heptadec-10-enoyl]oxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.4961 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.50338 247.7
[M+Na]+ 573.48532 253.5
[M-H]- 549.48882 234.0
[M+NH4]+ 568.52992 249.2
[M+K]+ 589.45926 254.4
[M+H-H2O]+ 533.49336 247.9
[M+HCOO]- 595.49430 250.6
[M+CH3COO]- 609.50995 256.0
[M+Na-2H]- 571.47077 232.7
[M]+ 550.49555 247.1
[M]- 550.49665 247.1
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

No patent data available for this compound.