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 178.0
[M+Na]+ 293.14718 180.4
[M-H]- 269.15068 179.7
[M+NH4]+ 288.19178 189.4
[M+K]+ 309.12112 184.8
[M+H-H2O]+ 253.15522 169.0
[M+HCOO]- 315.15616 187.1
[M+CH3COO]- 329.17181 207.1
[M+Na-2H]- 291.13263 182.9
[M]+ 270.15741 198.1
[M]- 270.15851 198.1
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.