CID 137942445

2260935-75-7

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(C(=O)C2)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-7-4-5-8(13)10(15)9(14)6-7/h7-8,10,15H,4-6H2,1-3H3
InChIKey
OPQJBDKWKIIQBN-UHFFFAOYSA-N
Compound name
tert-butyl 2-hydroxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.9
[M+Na]+ 264.12063 162.5
[M-H]- 240.12413 155.9
[M+NH4]+ 259.16523 175.4
[M+K]+ 280.09457 161.1
[M+H-H2O]+ 224.12867 151.6
[M+HCOO]- 286.12961 169.8
[M+CH3COO]- 300.14526 189.9
[M+Na-2H]- 262.10608 157.9
[M]+ 241.13086 155.6
[M]- 241.13196 155.6
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.