CID 28819679

203503-49-5

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)O)NC
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(11-4)8(13)6-12/h7-8,11,13H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
IJLLHXGWHBTSPV-HTQZYQBOSA-N
Compound name
tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

216.1474 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.154676 151.1
[M+Na]+ 239.136618 156.9
[M-H]- 215.140124 152.0
[M+NH4]+ 234.181223 169.6
[M+K]+ 255.110558 156.4
[M+H-H2O]+ 199.144660 145.6
[M+HCOO]- 261.145601 169.7
[M+CH3COO]- 275.161251 186.9
[M+Na-2H]- 237.122066 152.8
[M]+ 216.14685142 150.1
[M]- 216.14794858 150.1
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