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

1
Patents

111.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 114.3
[M+Na]+ 134.057628 120.6
[M-H]- 110.061134 118.1
[M+NH4]+ 129.102233 131.2
[M+K]+ 150.031568 123.1
[M+H-H2O]+ 94.065670 105.1
[M+HCOO]- 156.066611 134.2
[M+CH3COO]- 170.082261 165.6
[M+Na-2H]- 132.043076 123.5
[M]+ 111.06786142 119.7
[M]- 111.06895858 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

patents stripe