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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.081176	130.1
[M+Na]+	192.063118	135.9
[M-H]-	168.066624	133.8
[M+NH4]+	187.107723	144.6
[M+K]+	208.037058	138.9
[M+H-H2O]+	152.071160	120.5
[M+HCOO]-	214.072101	148.7
[M+CH3COO]-	228.087751	175.8
[M+Na-2H]-	190.048566	136.2
[M]+	169.07335142	137.9
[M]-	169.07444858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.