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

10
Patents

276.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 172.6
[M+Na]+ 299.13662 181.0
[M-H]- 275.14012 178.3
[M+NH4]+ 294.18122 182.9
[M+K]+ 315.11056 179.9
[M+H-H2O]+ 259.14466 164.7
[M+HCOO]- 321.14560 186.9
[M+CH3COO]- 335.16125 199.3
[M+Na-2H]- 297.12207 179.1
[M]+ 276.14685 176.2
[M]- 276.14795 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