CID 137942441

Methyl (2r,4s)-5-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C1CC2(C1)CCCN2
InChI
InChI=1S/C9H15NO2/c1-12-8(11)7-5-9(6-7)3-2-4-10-9/h7,10H,2-6H2,1H3
InChIKey
DIDAXCKAUHPILV-UHFFFAOYSA-N
Compound name
methyl 5-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.3
[M+Na]+ 192.09950 140.8
[M-H]- 168.10300 138.9
[M+NH4]+ 187.14410 152.0
[M+K]+ 208.07344 142.2
[M+H-H2O]+ 152.10754 126.5
[M+HCOO]- 214.10848 153.7
[M+CH3COO]- 228.12413 177.1
[M+Na-2H]- 190.08495 139.7
[M]+ 169.10973 140.9
[M]- 169.11083 140.9
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.