CID 84048937

Methyl 4-azaspiro[2.4]heptane-5-carboxylate

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C1CCC2(N1)CC2
InChI
InChI=1S/C8H13NO2/c1-11-7(10)6-2-3-8(9-6)4-5-8/h6,9H,2-5H2,1H3
InChIKey
WKJYSSFGQYBIQH-UHFFFAOYSA-N
Compound name
methyl 4-azaspiro[2.4]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 136.9
[M+Na]+ 178.083858 145.7
[M-H]- 154.087364 140.8
[M+NH4]+ 173.128463 154.9
[M+K]+ 194.057798 143.5
[M+H-H2O]+ 138.091900 131.7
[M+HCOO]- 200.092841 156.3
[M+CH3COO]- 214.108491 174.6
[M+Na-2H]- 176.069306 141.4
[M]+ 155.09409142 136.8
[M]- 155.09518858 136.8
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.