CID 67457376

6-methylidene-1,4-dioxepane

Structural Information

Molecular Formula
C6H10O2
SMILES
C=C1COCCOC1
InChI
InChI=1S/C6H10O2/c1-6-4-7-2-3-8-5-6/h1-5H2
InChIKey
DQXYFBLUOIXBIY-UHFFFAOYSA-N
Compound name
6-methylidene-1,4-dioxepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

114.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 114.7
[M+Na]+ 137.057298 118.5
[M-H]- 113.060804 119.9
[M+NH4]+ 132.101903 133.0
[M+K]+ 153.031238 124.2
[M+H-H2O]+ 97.065340 110.5
[M+HCOO]- 159.066281 133.9
[M+CH3COO]- 173.081931 169.3
[M+Na-2H]- 135.042746 123.4
[M]+ 114.06753142 109.5
[M]- 114.06862858 109.5
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

patents stripe