CID 145874586

Methyl 2-oxo-1-azaspiro[3.3]heptane-6-carboxylate

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC(=O)C1CC2(C1)CC(=O)N2
InChI
InChI=1S/C8H11NO3/c1-12-7(11)5-2-8(3-5)4-6(10)9-8/h5H,2-4H2,1H3,(H,9,10)
InChIKey
NJWWEPHAHUEGHT-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1-azaspiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 129.9
[M+Na]+ 192.063118 134.5
[M-H]- 168.066624 132.9
[M+NH4]+ 187.107723 137.1
[M+K]+ 208.037058 139.0
[M+H-H2O]+ 152.071160 116.4
[M+HCOO]- 214.072101 145.8
[M+CH3COO]- 228.087751 188.1
[M+Na-2H]- 190.048566 134.4
[M]+ 169.07335142 144.7
[M]- 169.07444858 144.7
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.