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

28
Patents

216.1474 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 150.9
[M+Na]+ 239.13662 154.6
[M-H]- 215.14012 153.9
[M+NH4]+ 234.18122 167.3
[M+K]+ 255.11056 155.5
[M+H-H2O]+ 199.14466 144.8
[M+HCOO]- 261.14560 169.5
[M+CH3COO]- 275.16125 190.5
[M+Na-2H]- 237.12207 155.0
[M]+ 216.14685 147.6
[M]- 216.14795 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.