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

13500
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

literature stripe

Patent stripe

patents stripe