CID 137935947

2490430-16-3

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C3(CC(C3)(O2)CO)N
InChI
InChI=1S/C13H22N2O4/c1-10(2,3)18-9(17)15-6-13(7-15)12(14)4-11(5-12,8-16)19-13/h16H,4-8,14H2,1-3H3
InChIKey
QGNPBQAMNJVLMU-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-1-(hydroxymethyl)spiro[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

270.15796 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 166.0
[M+Na]+ 293.14718 162.1
[M+NH4]+ 288.19178 168.3
[M+K]+ 309.12112 161.9
[M-H]- 269.15068 158.6
[M+Na-2H]- 291.13263 161.0
[M]+ 270.15741 161.2
[M]- 270.15851 161.2
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.