CID 20812341

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl prop-2-enoate

Structural Information

Molecular Formula
C9H14O4
SMILES
CC1(OCC(O1)COC(=O)C=C)C
InChI
InChI=1S/C9H14O4/c1-4-8(10)11-5-7-6-12-9(2,3)13-7/h4,7H,1,5-6H2,2-3H3
InChIKey
SXTYVVNJGZOYRX-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

186.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 137.8
[M+Na]+ 209.078418 145.2
[M-H]- 185.081924 142.5
[M+NH4]+ 204.123023 158.7
[M+K]+ 225.052358 147.1
[M+H-H2O]+ 169.086460 134.1
[M+HCOO]- 231.087401 158.5
[M+CH3COO]- 245.103051 179.6
[M+Na-2H]- 207.063866 143.4
[M]+ 186.08865142 141.1
[M]- 186.08974858 141.1
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