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]+ 186.14887 144.9
[M+Na]+ 208.13081 150.8
[M-H]- 184.13431 145.5
[M+NH4]+ 203.17541 164.8
[M+K]+ 224.10475 149.7
[M+H-H2O]+ 168.13885 139.7
[M+HCOO]- 230.13979 162.2
[M+CH3COO]- 244.15544 179.3
[M+Na-2H]- 206.11626 146.7
[M]+ 185.14104 142.9
[M]- 185.14214 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.