CID 11126977

2-propenoic acid, 2-methyl-, (2-oxo-1,3-dioxolan-4-yl)methyl ester

Structural Information

Molecular Formula
C8H10O5
SMILES
CC(=C)C(=O)OCC1COC(=O)O1
InChI
InChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
InChIKey
NUTJVZGIRRFKKI-UHFFFAOYSA-N
Compound name
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1165
Patents

186.05283 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06011 136.8
[M+Na]+ 209.04205 143.7
[M-H]- 185.04555 141.5
[M+NH4]+ 204.08665 155.4
[M+K]+ 225.01599 146.0
[M+H-H2O]+ 169.05009 132.2
[M+HCOO]- 231.05103 157.3
[M+CH3COO]- 245.06668 179.3
[M+Na-2H]- 207.02750 140.5
[M]+ 186.05228 139.6
[M]- 186.05338 139.6
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