CID 556177

7-methylene-9-oxabicyclo[6.1.0]non-2-ene

Structural Information

Molecular Formula
C9H12O
SMILES
C=C1CCCC=CC2C1O2
InChI
InChI=1S/C9H12O/c1-7-5-3-2-4-6-8-9(7)10-8/h4,6,8-9H,1-3,5H2
InChIKey
UPPNNWXQXLXRGQ-UHFFFAOYSA-N
Compound name
7-methylidene-9-oxabicyclo[6.1.0]non-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.08882 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 130.5
[M+Na]+ 159.078038 136.6
[M-H]- 135.081544 133.7
[M+NH4]+ 154.122643 138.5
[M+K]+ 175.051978 137.3
[M+H-H2O]+ 119.086080 127.5
[M+HCOO]- 181.087021 140.2
[M+CH3COO]- 195.102671 137.0
[M+Na-2H]- 157.063486 133.7
[M]+ 136.08827142 131.4
[M]- 136.08936858 131.4
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.