CID 13146993

3-methylideneoxane

Structural Information

Molecular Formula
C6H10O
SMILES
C=C1CCCOC1
InChI
InChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h1-5H2
InChIKey
WUPLYDUVSCMDJI-UHFFFAOYSA-N
Compound name
3-methylideneoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

98.073166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 118.4
[M+Na]+ 121.06238 130.3
[M+NH4]+ 116.10699 128.1
[M+K]+ 137.03632 124.2
[M-H]- 97.065890 122.1
[M+Na-2H]- 119.04783 124.4
[M]+ 98.072617 121.1
[M]- 98.073715 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe