CID 138040883

2490401-59-5

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C3(O2)COC3)N
InChI
InChI=1S/C13H22N2O4/c1-10(2,3)18-9(16)15-6-11-4-12(14,5-11)13(19-11)7-17-8-13/h4-8,14H2,1-3H3,(H,15,16)
InChIKey
XAOSQLZUSNKBRV-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-aminospiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15796 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 166.9
[M+Na]+ 293.14718 162.4
[M+NH4]+ 288.19178 169.5
[M+K]+ 309.12112 162.1
[M-H]- 269.15068 161.7
[M+Na-2H]- 291.13263 162.1
[M]+ 270.15741 162.7
[M]- 270.15851 162.7
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.