CID 14685703

1122-57-2

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(=C)C1COCOC1
InChI
InChI=1S/C7H12O2/c1-6(2)7-3-8-5-9-4-7/h7H,1,3-5H2,2H3
InChIKey
QQGJPZKGFLTKJL-UHFFFAOYSA-N
Compound name
5-prop-1-en-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.3
[M+Na]+ 151.07294 137.5
[M+NH4]+ 146.11754 135.0
[M+K]+ 167.04688 132.8
[M-H]- 127.07644 130.5
[M+Na-2H]- 149.05839 130.7
[M]+ 128.08317 129.0
[M]- 128.08427 129.0
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.