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

22
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 142.4
[M+Na]+ 236.12571 148.4
[M-H]- 212.12921 147.6
[M+NH4]+ 231.17031 154.2
[M+K]+ 252.09965 152.0
[M+H-H2O]+ 196.13375 136.5
[M+HCOO]- 258.13469 157.6
[M+CH3COO]- 272.15034 191.1
[M+Na-2H]- 234.11116 148.3
[M]+ 213.13594 143.2
[M]- 213.13704 143.2
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