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]+ 156.10192 136.9
[M+Na]+ 178.08386 145.7
[M-H]- 154.08736 140.8
[M+NH4]+ 173.12846 154.9
[M+K]+ 194.05780 143.5
[M+H-H2O]+ 138.09190 131.7
[M+HCOO]- 200.09284 156.3
[M+CH3COO]- 214.10849 174.6
[M+Na-2H]- 176.06931 141.4
[M]+ 155.09409 136.8
[M]- 155.09519 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.