CID 14685703

1,3-dioxane, 5-(1-methylethenyl)-

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]+ 129.090996 126.2
[M+Na]+ 151.072938 131.4
[M-H]- 127.076444 130.4
[M+NH4]+ 146.117543 145.3
[M+K]+ 167.046878 133.5
[M+H-H2O]+ 111.080980 121.0
[M+HCOO]- 173.081921 144.8
[M+CH3COO]- 187.097571 170.5
[M+Na-2H]- 149.058386 133.3
[M]+ 128.08317142 123.8
[M]- 128.08426858 123.8
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.