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]+ 129.09100 126.2
[M+Na]+ 151.07294 131.4
[M-H]- 127.07644 130.4
[M+NH4]+ 146.11754 145.3
[M+K]+ 167.04688 133.5
[M+H-H2O]+ 111.08098 121.0
[M+HCOO]- 173.08192 144.8
[M+CH3COO]- 187.09757 170.5
[M+Na-2H]- 149.05839 133.3
[M]+ 128.08317 123.8
[M]- 128.08427 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.