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 [(1S,7R)-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

28
Patents

279.1107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 165.9
[M+Na]+ 302.09992 174.6
[M-H]- 278.10342 169.4
[M+NH4]+ 297.14452 188.9
[M+K]+ 318.07386 173.3
[M+H-H2O]+ 262.10796 163.3
[M+HCOO]- 324.10890 183.5
[M+CH3COO]- 338.12455 199.0
[M+Na-2H]- 300.08537 166.0
[M]+ 279.11015 170.9
[M]- 279.11125 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

patents stripe