CID 9921382

Glyceryl 1-undecylenate

Structural Information

Molecular Formula
C14H26O4
SMILES
C=CCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h2,13,15-16H,1,3-12H2
InChIKey
GJVUMEONPPTZEY-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2561
Patents

258.1831 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 166.4
[M+Na]+ 281.17232 169.5
[M-H]- 257.17582 162.5
[M+NH4]+ 276.21692 181.7
[M+K]+ 297.14626 167.0
[M+H-H2O]+ 241.18036 160.5
[M+HCOO]- 303.18130 183.9
[M+CH3COO]- 317.19695 193.2
[M+Na-2H]- 279.15777 165.7
[M]+ 258.18255 169.9
[M]- 258.18365 169.9
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