CID 137935348

2248356-10-5

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC(=O)C1=CC2(CNC2)OC1
InChI
InChI=1S/C8H11NO3/c1-11-7(10)6-2-8(12-3-6)4-9-5-8/h2,9H,3-5H2,1H3
InChIKey
HANPNTLEBFOSDJ-UHFFFAOYSA-N
Compound name
methyl 5-oxa-2-azaspiro[3.4]oct-7-ene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 130.1
[M+Na]+ 192.06312 135.9
[M-H]- 168.06662 133.8
[M+NH4]+ 187.10772 144.6
[M+K]+ 208.03706 138.9
[M+H-H2O]+ 152.07116 120.5
[M+HCOO]- 214.07210 148.7
[M+CH3COO]- 228.08775 175.8
[M+Na-2H]- 190.04857 136.2
[M]+ 169.07335 137.9
[M]- 169.07445 137.9
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.