CID 137935388

2248298-01-1

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)[C@@H]1CC12CC(C2)N
InChI
InChI=1S/C8H13NO2/c1-11-7(10)6-4-8(6)2-5(9)3-8/h5-6H,2-4,9H2,1H3/t5?,6-,8?/m0/s1
InChIKey
KZUFLGWLQMIKHN-PIJYJLRNSA-N
Compound name
methyl (2R)-5-aminospiro[2.3]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.7
[M+Na]+ 178.08386 140.5
[M-H]- 154.08736 139.2
[M+NH4]+ 173.12846 144.7
[M+K]+ 194.05780 142.2
[M+H-H2O]+ 138.09190 123.5
[M+HCOO]- 200.09284 153.9
[M+CH3COO]- 214.10849 184.8
[M+Na-2H]- 176.06931 137.8
[M]+ 155.09409 142.5
[M]- 155.09519 142.5
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.