CID 6420233

959312-46-0

Structural Information

Molecular Formula
C17H30O4
SMILES
CCCCCCCCCCCCOC(=O)C(=O)OCC=C
InChI
InChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-12-13-15-21-17(19)16(18)20-14-4-2/h4H,2-3,5-15H2,1H3
InChIKey
APQUCTNZGJQJQG-UHFFFAOYSA-N
Compound name
1-O-dodecyl 2-O-prop-2-enyl oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.21442 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.221696 177.7
[M+Na]+ 321.203638 180.9
[M-H]- 297.207144 176.2
[M+NH4]+ 316.248243 193.0
[M+K]+ 337.177578 178.9
[M+H-H2O]+ 281.211680 171.0
[M+HCOO]- 343.212621 197.5
[M+CH3COO]- 357.228271 205.1
[M+Na-2H]- 319.189086 176.5
[M]+ 298.21387142 185.4
[M]- 298.21496858 185.4
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.