CID 145874586

2375267-92-6

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]+ 170.08118 129.9
[M+Na]+ 192.06312 134.5
[M-H]- 168.06662 132.9
[M+NH4]+ 187.10772 137.1
[M+K]+ 208.03706 139.0
[M+H-H2O]+ 152.07116 116.4
[M+HCOO]- 214.07210 145.8
[M+CH3COO]- 228.08775 188.1
[M+Na-2H]- 190.04857 134.4
[M]+ 169.07335 144.7
[M]- 169.07445 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.