CID 89986347

Bis(4-prop-2-enoyloxybutyl) oxalate

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

50
Patents

342.13147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13875 177.0
[M+Na]+ 365.12069 180.8
[M-H]- 341.12419 185.9
[M+NH4]+ 360.16529 195.6
[M+K]+ 381.09463 180.6
[M+H-H2O]+ 325.12873 170.3
[M+HCOO]- 387.12967 198.1
[M+CH3COO]- 401.14532 208.1
[M+Na-2H]- 363.10614 174.9
[M]+ 342.13092 186.6
[M]- 342.13202 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