CID 12865911

4-[(prop-2-en-1-yloxy)methyl]-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C7H10O4
SMILES
C=CCOCC1COC(=O)O1
InChI
InChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2,6H,1,3-5H2
InChIKey
KAPMHCGNDQJNRP-UHFFFAOYSA-N
Compound name
4-(prop-2-enoxymethyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

366
Patents

158.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 129.6
[M+Na]+ 181.04712 137.2
[M-H]- 157.05062 134.2
[M+NH4]+ 176.09172 149.6
[M+K]+ 197.02106 138.9
[M+H-H2O]+ 141.05516 125.1
[M+HCOO]- 203.05610 152.0
[M+CH3COO]- 217.07175 173.8
[M+Na-2H]- 179.03257 136.2
[M]+ 158.05735 132.6
[M]- 158.05845 132.6
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