CID 96463

Dtxsid20979986

Structural Information

Molecular Formula
C17H22O8
SMILES
CC(C(=O)OCC=C)OC(=O)CC(=C)C(=O)OC(C)C(=O)OCC=C
InChI
InChI=1S/C17H22O8/c1-6-8-22-16(20)12(4)24-14(18)10-11(3)15(19)25-13(5)17(21)23-9-7-2/h6-7,12-13H,1-3,8-10H2,4-5H3
InChIKey
UZBBXMOMBNTGOL-UHFFFAOYSA-N
Compound name
bis(1-oxo-1-prop-2-enoxypropan-2-yl) 2-methylidenebutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.138746 186.3
[M+Na]+ 377.120688 198.3
[M-H]- 353.124194 191.3
[M+NH4]+ 372.165293 201.4
[M+K]+ 393.094628 192.1
[M+H-H2O]+ 337.128730 171.8
[M+HCOO]- 399.129671 192.1
[M+CH3COO]- 413.145321 213.7
[M+Na-2H]- 375.106136 172.1
[M]+ 354.13092142 188.6
[M]- 354.13201858 188.6
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

No patent data available for this compound.