CID 89986347

Refchem:568924

Structural Information

Molecular Formula
C16H22O8
SMILES
C=CC(=O)OCCCCOC(=O)C(=O)OCCCCOC(=O)C=C
InChI
InChI=1S/C16H22O8/c1-3-13(17)21-9-5-7-11-23-15(19)16(20)24-12-8-6-10-22-14(18)4-2/h3-4H,1-2,5-12H2
InChIKey
GSCPZAGTXFWHGW-UHFFFAOYSA-N
Compound name
bis(4-prop-2-enoyloxybutyl) oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

342.13147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.138746 177.0
[M+Na]+ 365.120688 180.8
[M-H]- 341.124194 185.9
[M+NH4]+ 360.165293 195.6
[M+K]+ 381.094628 180.6
[M+H-H2O]+ 325.128730 170.3
[M+HCOO]- 387.129671 198.1
[M+CH3COO]- 401.145321 208.1
[M+Na-2H]- 363.106136 174.9
[M]+ 342.13092142 186.6
[M]- 342.13201858 186.6
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