CID 122155904

Rac-tert-butyl (2r,3r,6s)-2,6-dimethylpiperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H23NO2
SMILES
C[C@@H]1CC[C@@H]([C@@H](N1)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO2/c1-8-6-7-10(9(2)13-8)11(14)15-12(3,4)5/h8-10,13H,6-7H2,1-5H3/t8-,9+,10+/m1/s1
InChIKey
GNDMYZBKBJRDSQ-UTLUCORTSA-N
Compound name
tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 152.3
[M+Na]+ 236.162098 157.5
[M-H]- 212.165604 152.6
[M+NH4]+ 231.206703 169.5
[M+K]+ 252.136038 155.9
[M+H-H2O]+ 196.170140 146.8
[M+HCOO]- 258.171081 166.8
[M+CH3COO]- 272.186731 186.9
[M+Na-2H]- 234.147546 153.7
[M]+ 213.17233142 149.4
[M]- 213.17342858 149.4
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.