CID 5378708

928-24-5

Structural Information

Molecular Formula
C38H70O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKey
NKSOSPOXQKNIKJ-CLFAGFIQSA-N
Compound name
2-[(Z)-octadec-9-enoyl]oxyethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

8735
Patents

590.5274 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.53468 258.1
[M+Na]+ 613.51662 264.4
[M-H]- 589.52012 242.9
[M+NH4]+ 608.56122 260.5
[M+K]+ 629.49056 265.4
[M+H-H2O]+ 573.52466 258.5
[M+HCOO]- 635.52560 264.8
[M+CH3COO]- 649.54125 264.2
[M+Na-2H]- 611.50207 242.3
[M]+ 590.52685 258.2
[M]- 590.52795 258.2
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