CID 117800768

Tert-butyl 6-(pyridin-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(C(C1)O2)C3=CC=CC=N3
InChI
InChI=1S/C15H20N2O3/c1-14(2,3)20-13(18)17-9-7-15(12(10-17)19-15)11-6-4-5-8-16-11/h4-6,8,12H,7,9-10H2,1-3H3
InChIKey
BZWOPQCPKFHUQJ-UHFFFAOYSA-N
Compound name
tert-butyl 6-pyridin-2-yl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

276.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 172.6
[M+Na]+ 299.136618 181.0
[M-H]- 275.140124 178.3
[M+NH4]+ 294.181223 182.9
[M+K]+ 315.110558 179.9
[M+H-H2O]+ 259.144660 164.7
[M+HCOO]- 321.145601 186.9
[M+CH3COO]- 335.161251 199.3
[M+Na-2H]- 297.122066 179.1
[M]+ 276.14685142 176.2
[M]- 276.14794858 176.2
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

patents stripe