CID 57416885

Boc-onb

Structural Information

Molecular Formula
C14H17NO5
SMILES
CC(C)(C)OC(=O)ON1C(=O)C2[C@@H]3C[C@H](C2C1=O)C=C3
InChI
InChI=1S/C14H17NO5/c1-14(2,3)19-13(18)20-15-11(16)9-7-4-5-8(6-7)10(9)12(15)17/h4-5,7-10H,6H2,1-3H3/t7-,8+,9?,10?
InChIKey
SMTQMXCDEUEZRS-BQKDNTBBSA-N
Compound name
tert-butyl [(1R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

279.1107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 165.9
[M+Na]+ 302.099918 174.6
[M-H]- 278.103424 169.4
[M+NH4]+ 297.144523 188.9
[M+K]+ 318.073858 173.3
[M+H-H2O]+ 262.107960 163.3
[M+HCOO]- 324.108901 183.5
[M+CH3COO]- 338.124551 199.0
[M+Na-2H]- 300.085366 166.0
[M]+ 279.11015142 170.9
[M]- 279.11124858 170.9
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.