CID 115012054

At49077

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C1(CC2(C1)CC2)N
InChI
InChI=1S/C8H13NO2/c1-11-6(10)8(9)4-7(5-8)2-3-7/h2-5,9H2,1H3
InChIKey
AKDHULFWSONCQB-UHFFFAOYSA-N
Compound name
methyl 5-aminospiro[2.3]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.4
[M+Na]+ 178.08386 143.2
[M-H]- 154.08736 142.0
[M+NH4]+ 173.12846 149.0
[M+K]+ 194.05780 145.5
[M+H-H2O]+ 138.09190 127.6
[M+HCOO]- 200.09284 156.2
[M+CH3COO]- 214.10849 183.5
[M+Na-2H]- 176.06931 142.0
[M]+ 155.09409 145.3
[M]- 155.09519 145.3
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.