CID 10219877

80548-27-2

Structural Information

Molecular Formula
C9H16O5
SMILES
CC(=C)C(=O)OCC(CO)(CO)CO
InChI
InChI=1S/C9H16O5/c1-7(2)8(13)14-6-9(3-10,4-11)5-12/h10-12H,1,3-6H2,2H3
InChIKey
APZPSKFMSWZPKL-UHFFFAOYSA-N
Compound name
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36675
Patents

204.09978 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10706 146.0
[M+Na]+ 227.08900 151.1
[M-H]- 203.09250 141.8
[M+NH4]+ 222.13360 162.8
[M+K]+ 243.06294 150.0
[M+H-H2O]+ 187.09704 141.8
[M+HCOO]- 249.09798 162.3
[M+CH3COO]- 263.11363 178.1
[M+Na-2H]- 225.07445 148.4
[M]+ 204.09923 146.7
[M]- 204.10033 146.7
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