CID 6438192

85586-84-1

Structural Information

Molecular Formula
C24H42O7
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h9-10,30H,2-8,11-20H2,1H3,(H,25,26)(H,28,29)/b10-9-
InChIKey
QPXDCWRAUMXWMG-KTKRTIGZSA-N
Compound name
2-hydroxy-2-[2-[(Z)-octadec-9-enoxy]-2-oxoethyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

442.29306 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.300336 207.0
[M+Na]+ 465.282278 211.4
[M-H]- 441.285784 201.8
[M+NH4]+ 460.326883 208.3
[M+K]+ 481.256218 208.7
[M+H-H2O]+ 425.290320 204.9
[M+HCOO]- 487.291261 212.7
[M+CH3COO]- 501.306911 225.3
[M+Na-2H]- 463.267726 195.3
[M]+ 442.29251142 206.1
[M]- 442.29360858 206.1
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