CID 154577646

Tert-butyl (2r,4s)-2-(2-aminoethyl)-4-methoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CCN)OC
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-8-10(16-4)7-9(14)5-6-13/h9-10H,5-8,13H2,1-4H3/t9-,10+/m1/s1
InChIKey
RLSACDWQJOOBDM-ZJUUUORDSA-N
Compound name
tert-butyl (2R,4S)-2-(2-aminoethyl)-4-methoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 158.7
[M+Na]+ 267.16792 165.0
[M+NH4]+ 262.21252 164.1
[M+K]+ 283.14186 163.8
[M-H]- 243.17142 157.2
[M+Na-2H]- 265.15337 159.3
[M]+ 244.17815 158.6
[M]- 244.17925 158.6
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

No patent data available for this compound.