CID 93284

Einecs 258-545-7

Structural Information

Molecular Formula
C11H16O6
SMILES
C=CC(=O)OCC(CO)(CO)COC(=O)C=C
InChI
InChI=1S/C11H16O6/c1-3-9(14)16-7-11(5-12,6-13)8-17-10(15)4-2/h3-4,12-13H,1-2,5-8H2
InChIKey
CQHKDHVZYZUZMJ-UHFFFAOYSA-N
Compound name
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13531
Patents

244.09468 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10196 153.7
[M+Na]+ 267.08390 158.9
[M-H]- 243.08740 150.6
[M+NH4]+ 262.12850 169.4
[M+K]+ 283.05784 157.6
[M+H-H2O]+ 227.09194 148.9
[M+HCOO]- 289.09288 171.5
[M+CH3COO]- 303.10853 186.3
[M+Na-2H]- 265.06935 155.9
[M]+ 244.09413 157.0
[M]- 244.09523 157.0
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.