CID 393372

Diglycolic acid, bis(2-methylallyl) ester

Structural Information

Molecular Formula
C12H18O5
SMILES
CC(=C)COC(=O)COCC(=O)OCC(=C)C
InChI
InChI=1S/C12H18O5/c1-9(2)5-16-11(13)7-15-8-12(14)17-6-10(3)4/h1,3,5-8H2,2,4H3
InChIKey
RXNOBJBOWJGYRR-UHFFFAOYSA-N
Compound name
2-methylprop-2-enyl 2-[2-(2-methylprop-2-enoxy)-2-oxoethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12270 155.0
[M+Na]+ 265.10464 160.1
[M-H]- 241.10814 154.7
[M+NH4]+ 260.14924 172.3
[M+K]+ 281.07858 160.3
[M+H-H2O]+ 225.11268 149.5
[M+HCOO]- 287.11362 175.0
[M+CH3COO]- 301.12927 193.7
[M+Na-2H]- 263.09009 154.3
[M]+ 242.11487 160.4
[M]- 242.11597 160.4
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.