CID 105532199

1613450-38-6

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1N
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-8-4-5-14-6-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKey
ABPWYJBKUUVONI-JGVFFNPUSA-N
Compound name
tert-butyl N-[(3R,4R)-3-aminooxan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
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 150.9
[M+Na]+ 239.136618 154.6
[M-H]- 215.140124 153.9
[M+NH4]+ 234.181223 167.3
[M+K]+ 255.110558 155.5
[M+H-H2O]+ 199.144660 144.8
[M+HCOO]- 261.145601 169.5
[M+CH3COO]- 275.161251 190.5
[M+Na-2H]- 237.122066 155.0
[M]+ 216.14685142 147.6
[M]- 216.14794858 147.6
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.