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]+ 129.090996 125.7
[M+Na]+ 151.072938 133.2
[M-H]- 127.076444 130.4
[M+NH4]+ 146.117543 147.2
[M+K]+ 167.046878 134.7
[M+H-H2O]+ 111.080980 121.5
[M+HCOO]- 173.081921 147.5
[M+CH3COO]- 187.097571 169.8
[M+Na-2H]- 149.058386 132.1
[M]+ 128.08317142 126.4
[M]- 128.08426858 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.