CID 137964418

Rac-tert-butyl n-{[(2r,4r)-4-aminooxan-2-yl]methyl}carbamate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CCO1)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-7-9-6-8(12)4-5-15-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChIKey
ILLMSBZDMADPST-IUCAKERBSA-N
Compound name
tert-butyl N-[[(2S,4S)-4-aminooxan-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 155.4
[M+Na]+ 253.15226 158.7
[M-H]- 229.15576 158.3
[M+NH4]+ 248.19686 171.3
[M+K]+ 269.12620 159.4
[M+H-H2O]+ 213.16030 149.2
[M+HCOO]- 275.16124 173.8
[M+CH3COO]- 289.17689 193.5
[M+Na-2H]- 251.13771 159.1
[M]+ 230.16249 152.5
[M]- 230.16359 152.5
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.