CID 548975

4-methylideneoxane

Structural Information

Molecular Formula
C6H10O
SMILES
C=C1CCOCC1
InChI
InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h1-5H2
InChIKey
NSELYKZLLNWRED-UHFFFAOYSA-N
Compound name
4-methylideneoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

424
Patents

98.073166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 117.3
[M+Na]+ 121.06238 123.2
[M-H]- 97.065890 121.0
[M+NH4]+ 116.10699 139.1
[M+K]+ 137.03632 123.8
[M+H-H2O]+ 81.070426 112.5
[M+HCOO]- 143.07137 138.0
[M+CH3COO]- 157.08702 164.4
[M+Na-2H]- 119.04783 125.3
[M]+ 98.072617 113.1
[M]- 98.073715 113.1
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