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]+ 214.18016 152.3
[M+Na]+ 236.16210 157.5
[M-H]- 212.16560 152.6
[M+NH4]+ 231.20670 169.5
[M+K]+ 252.13604 155.9
[M+H-H2O]+ 196.17014 146.8
[M+HCOO]- 258.17108 166.8
[M+CH3COO]- 272.18673 186.9
[M+Na-2H]- 234.14755 153.7
[M]+ 213.17233 149.4
[M]- 213.17343 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.