CID 5385682

4-methyl-2-propenyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H12O2
SMILES
C/C=C/C1OCC(O1)C
InChI
InChI=1S/C7H12O2/c1-3-4-7-8-5-6(2)9-7/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKey
NYZXENUZCWUIJS-ONEGZZNKSA-N
Compound name
4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.8
[M+Na]+ 151.07294 136.6
[M+NH4]+ 146.11754 134.4
[M+K]+ 167.04688 133.4
[M-H]- 127.07644 129.4
[M+Na-2H]- 149.05839 129.3
[M]+ 128.08317 128.3
[M]- 128.08427 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.