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

908
Patents

444.3451 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.352376 220.1
[M+Na]+ 467.334318 224.4
[M-H]- 443.337824 208.7
[M+NH4]+ 462.378923 219.1
[M+K]+ 483.308258 220.9
[M+H-H2O]+ 427.342360 210.8
[M+HCOO]- 489.343301 226.8
[M+CH3COO]- 503.358951 228.7
[M+Na-2H]- 465.319766 213.2
[M]+ 444.34455142 218.8
[M]- 444.34564858 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

patents stripe