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]+ 245.185976 160.6
[M+Na]+ 267.167918 164.6
[M-H]- 243.171424 160.7
[M+NH4]+ 262.212523 177.7
[M+K]+ 283.141858 163.6
[M+H-H2O]+ 227.175960 154.3
[M+HCOO]- 289.176901 178.5
[M+CH3COO]- 303.192551 191.7
[M+Na-2H]- 265.153366 161.9
[M]+ 244.17815142 159.9
[M]- 244.17924858 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.