CID 170915066

Ethyl (1r,2s,5s,6r)-2-aminobicyclo[3.1.0]hexane-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(=O)[C@@H]1[C@@H]2[C@H]1[C@H](CC2)N
InChI
InChI=1S/C9H15NO2/c1-2-12-9(11)8-5-3-4-6(10)7(5)8/h5-8H,2-4,10H2,1H3/t5-,6-,7-,8+/m0/s1
InChIKey
UNYOQAVQUFIZDJ-DKXJUACHSA-N
Compound name
ethyl (1R,2S,5S,6R)-2-aminobicyclo[3.1.0]hexane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 135.6
[M+Na]+ 192.09950 145.0
[M-H]- 168.10300 140.6
[M+NH4]+ 187.14410 153.8
[M+K]+ 208.07344 141.8
[M+H-H2O]+ 152.10754 130.7
[M+HCOO]- 214.10848 157.6
[M+CH3COO]- 228.12413 185.2
[M+Na-2H]- 190.08495 138.7
[M]+ 169.10973 137.8
[M]- 169.11083 137.8
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.