CID 11229499

Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)OC)C
InChI
InChI=1S/C9H15NO2/c1-9(2)5-4-10-7(6(5)9)8(11)12-3/h5-7,10H,4H2,1-3H3/t5-,6-,7-/m0/s1
InChIKey
KCIDWDVSBWPHLH-ACZMJKKPSA-N
Compound name
methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

366
Patents

169.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 140.3
[M+Na]+ 192.09950 150.8
[M-H]- 168.10300 143.4
[M+NH4]+ 187.14410 159.1
[M+K]+ 208.07344 147.9
[M+H-H2O]+ 152.10754 136.0
[M+HCOO]- 214.10848 158.8
[M+CH3COO]- 228.12413 180.8
[M+Na-2H]- 190.08495 144.1
[M]+ 169.10973 143.2
[M]- 169.11083 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe