CID 40152183

Tert-butyl (3r,4r)-3-amino-4-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H20N2O2
SMILES
C[C@@H]1CN(C[C@@H]1N)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H20N2O2/c1-7-5-12(6-8(7)11)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m1/s1
InChIKey
DUBXUUPBIKNFEA-SFYZADRCSA-N
Compound name
tert-butyl (3R,4R)-3-amino-4-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

200.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 148.2
[M+Na]+ 223.141698 154.6
[M-H]- 199.145204 150.0
[M+NH4]+ 218.186303 167.9
[M+K]+ 239.115638 154.0
[M+H-H2O]+ 183.149740 142.6
[M+HCOO]- 245.150681 167.4
[M+CH3COO]- 259.166331 186.7
[M+Na-2H]- 221.127146 149.2
[M]+ 200.15193142 146.6
[M]- 200.15302858 146.6
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

patents stripe