CID 137935564

2248274-75-9

Structural Information

Molecular Formula
C6H9NO
SMILES
C1C=CC2(O1)CNC2
InChI
InChI=1S/C6H9NO/c1-2-6(8-3-1)4-7-5-6/h1-2,7H,3-5H2
InChIKey
NMDIISPERPDIIM-UHFFFAOYSA-N
Compound name
5-oxa-2-azaspiro[3.4]oct-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 114.3
[M+Na]+ 134.05763 120.6
[M-H]- 110.06113 118.1
[M+NH4]+ 129.10223 131.2
[M+K]+ 150.03157 123.1
[M+H-H2O]+ 94.065670 105.1
[M+HCOO]- 156.06661 134.2
[M+CH3COO]- 170.08226 165.6
[M+Na-2H]- 132.04308 123.5
[M]+ 111.06786 119.7
[M]- 111.06896 119.7
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.