CID 137935498

2490405-98-4

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC12CC(C1)(C3(O2)CN(C3)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H22N2O3/c1-10(2,3)17-9(16)15-7-13(8-15)12(14)5-11(4,6-12)18-13/h5-8,14H2,1-4H3
InChIKey
DUOIEFWONXYOHB-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-1-methylspiro[2-oxabicyclo[2.1.1]hexane-3,3'-azetidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 173.9
[M+Na]+ 277.15226 177.2
[M-H]- 253.15576 177.0
[M+NH4]+ 272.19686 186.7
[M+K]+ 293.12620 181.6
[M+H-H2O]+ 237.16030 165.0
[M+HCOO]- 299.16124 184.4
[M+CH3COO]- 313.17689 207.3
[M+Na-2H]- 275.13771 179.0
[M]+ 254.16249 194.4
[M]- 254.16359 194.4
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.