CID 177787380

Tert-butyl 1-ethynyl-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)(CO2)C#C
InChI
InChI=1S/C13H19NO3/c1-5-13-6-10(16-9-13)7-14(8-13)11(15)17-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
XXXACTZUQKAOCJ-UHFFFAOYSA-N
Compound name
tert-butyl 1-ethynyl-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.0
[M+Na]+ 260.12571 164.3
[M-H]- 236.12921 155.3
[M+NH4]+ 255.17031 173.4
[M+K]+ 276.09965 160.3
[M+H-H2O]+ 220.13375 144.2
[M+HCOO]- 282.13469 164.3
[M+CH3COO]- 296.15034 196.8
[M+Na-2H]- 258.11116 159.2
[M]+ 237.13594 150.2
[M]- 237.13704 150.2
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.