CID 177793281

Tert-butyl n-({5-amino-3-oxabicyclo[3.1.1]heptan-1-yl}methyl)carbamate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(COC2)N
InChI
InChI=1S/C12H22N2O3/c1-10(2,3)17-9(15)14-6-11-4-12(13,5-11)8-16-7-11/h4-8,13H2,1-3H3,(H,14,15)
InChIKey
GMNUSVSROQJEMC-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-amino-3-oxabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 171.1
[M+Na]+ 265.152258 173.4
[M-H]- 241.155764 169.5
[M+NH4]+ 260.196863 187.7
[M+K]+ 281.126198 177.1
[M+H-H2O]+ 225.160300 162.4
[M+HCOO]- 287.161241 181.7
[M+CH3COO]- 301.176891 201.4
[M+Na-2H]- 263.137706 181.7
[M]+ 242.16249142 182.4
[M]- 242.16358858 182.4
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.