CID 122163556

Rac-tert-butyl (2r,5r)-5-methylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C10H19NO2
SMILES
C[C@@H]1CC[C@@H](N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO2/c1-7-5-6-8(11-7)9(12)13-10(2,3)4/h7-8,11H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
WFOKGSGEJVJMFD-HTQZYQBOSA-N
Compound name
tert-butyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 144.9
[M+Na]+ 208.130808 150.8
[M-H]- 184.134314 145.5
[M+NH4]+ 203.175413 164.8
[M+K]+ 224.104748 149.7
[M+H-H2O]+ 168.138850 139.7
[M+HCOO]- 230.139791 162.2
[M+CH3COO]- 244.155441 179.3
[M+Na-2H]- 206.116256 146.7
[M]+ 185.14104142 142.9
[M]- 185.14213858 142.9
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.