CID 5385682

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

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 125.7
[M+Na]+ 151.07294 133.2
[M-H]- 127.07644 130.4
[M+NH4]+ 146.11754 147.2
[M+K]+ 167.04688 134.7
[M+H-H2O]+ 111.08098 121.5
[M+HCOO]- 173.08192 147.5
[M+CH3COO]- 187.09757 169.8
[M+Na-2H]- 149.05839 132.1
[M]+ 128.08317 126.4
[M]- 128.08427 126.4
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.