CID 167718368

Tert-butyl 1'-(hydroxymethyl)-4'-methyl-3'-oxaspiro[azetidine-3,2'-bicyclo[2.1.1]hexane]-1-carboxylate

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC12CC(C1)(C3(O2)CN(C3)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C14H23NO4/c1-11(2,3)18-10(17)15-7-14(8-15)13(9-16)5-12(4,6-13)19-14/h16H,5-9H2,1-4H3
InChIKey
HOSPJABQBUYCFT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)-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

269.16272 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 175.3
[M+Na]+ 292.15194 178.7
[M-H]- 268.15544 177.7
[M+NH4]+ 287.19654 187.5
[M+K]+ 308.12588 182.7
[M+H-H2O]+ 252.15998 167.4
[M+HCOO]- 314.16092 184.2
[M+CH3COO]- 328.17657 205.8
[M+Na-2H]- 290.13739 180.5
[M]+ 269.16217 197.3
[M]- 269.16327 197.3
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.