CID 58717040

Tert-butyl 8-oxa-4-azabicyclo[5.1.0]octane-4-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2C(O2)CC1
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-6-4-8-9(14-8)5-7-12/h8-9H,4-7H2,1-3H3
InChIKey
QNJVBPPJFXYXHP-UHFFFAOYSA-N
Compound name
tert-butyl 8-oxa-4-azabicyclo[5.1.0]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

213.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.0
[M+Na]+ 236.12571 158.1
[M+NH4]+ 231.17031 155.9
[M+K]+ 252.09965 157.0
[M-H]- 212.12921 155.8
[M+Na-2H]- 234.11116 153.4
[M]+ 213.13594 153.1
[M]- 213.13704 153.1
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

patents stripe