CID 11824075

(2s)-3-[(z)-octadec-1-enoxy]propane-1,2-diol

Structural Information

Molecular Formula
C21H42O3
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](CO)O
InChI
InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h17-18,21-23H,2-16,19-20H2,1H3/b18-17-/t21-/m0/s1
InChIKey
WXWPBUKRBCYIMR-OGLOHFSISA-N
Compound name
(2S)-3-[(Z)-octadec-1-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3134 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.32068 195.8
[M+Na]+ 365.30262 195.9
[M-H]- 341.30612 190.4
[M+NH4]+ 360.34722 207.9
[M+K]+ 381.27656 191.3
[M+H-H2O]+ 325.31066 188.6
[M+HCOO]- 387.31160 211.5
[M+CH3COO]- 401.32725 212.0
[M+Na-2H]- 363.28807 192.6
[M]+ 342.31285 201.8
[M]- 342.31395 201.8
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

No patent data available for this compound.