CID 59608834

532424-75-2

Structural Information

Molecular Formula
C9H12O5
SMILES
CC1(COC(=O)OC1)C(=O)OCC=C
InChI
InChI=1S/C9H12O5/c1-3-4-12-7(10)9(2)5-13-8(11)14-6-9/h3H,1,4-6H2,2H3
InChIKey
OPWZLMZGHGAFNG-UHFFFAOYSA-N
Compound name
prop-2-enyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

200.06847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 138.8
[M+Na]+ 223.05769 145.6
[M-H]- 199.06119 143.5
[M+NH4]+ 218.10229 157.2
[M+K]+ 239.03163 147.8
[M+H-H2O]+ 183.06573 134.1
[M+HCOO]- 245.06667 157.9
[M+CH3COO]- 259.08232 181.3
[M+Na-2H]- 221.04314 145.8
[M]+ 200.06792 141.0
[M]- 200.06902 141.0
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