CID 122163615

1969287-93-1

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CCO[C@@H]1CNC[C@H]1CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O3/c1-5-16-10-8-13-6-9(10)7-14-11(15)17-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKey
GNORXHTXMBLWJX-VHSXEESVSA-N
Compound name
tert-butyl N-[[(3S,4S)-4-ethoxypyrrolidin-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 160.6
[M+Na]+ 267.16792 164.6
[M-H]- 243.17142 160.7
[M+NH4]+ 262.21252 177.7
[M+K]+ 283.14186 163.6
[M+H-H2O]+ 227.17596 154.3
[M+HCOO]- 289.17690 178.5
[M+CH3COO]- 303.19255 191.7
[M+Na-2H]- 265.15337 161.9
[M]+ 244.17815 159.9
[M]- 244.17925 159.9
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.