CID 121596022

51192-09-7

Structural Information

Molecular Formula
C25H48O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COCCO)OCCO
InChI
InChI=1S/C25H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)31-23-24(30-21-19-27)22-29-20-18-26/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-
InChIKey
VVEAPYVNAFNECM-KTKRTIGZSA-N
Compound name
2,3-bis(2-hydroxyethoxy)propyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

444.3451 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.35238 220.1
[M+Na]+ 467.33432 224.4
[M-H]- 443.33782 208.7
[M+NH4]+ 462.37892 219.1
[M+K]+ 483.30826 220.9
[M+H-H2O]+ 427.34236 210.8
[M+HCOO]- 489.34330 226.8
[M+CH3COO]- 503.35895 228.7
[M+Na-2H]- 465.31977 213.2
[M]+ 444.34455 218.8
[M]- 444.34565 218.8
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.