CID 167727382

En300-45158106

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H]1CC2=O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-4-5-15-9-7(12)6-8(9)13/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKey
VYTOWJNCLUOEFG-VXNVDRBHSA-N
Compound name
tert-butyl (1R,6R)-8-oxo-2-oxa-5-azabicyclo[4.2.0]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 146.2
[M+Na]+ 250.10497 151.4
[M-H]- 226.10847 149.5
[M+NH4]+ 245.14957 156.6
[M+K]+ 266.07891 155.4
[M+H-H2O]+ 210.11301 135.6
[M+HCOO]- 272.11395 160.4
[M+CH3COO]- 286.12960 192.1
[M+Na-2H]- 248.09042 151.2
[M]+ 227.11520 155.9
[M]- 227.11630 155.9
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.