CID 146049375

2411179-05-8

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CCOC(=O)[C@@H]1[C@@H]2C[C@@H]([C@@H](C2)N1C(=O)OC(C)(C)C)N
InChI
InChI=1S/C14H24N2O4/c1-5-19-12(17)11-8-6-9(15)10(7-8)16(11)13(18)20-14(2,3)4/h8-11H,5-7,15H2,1-4H3/t8-,9+,10-,11+/m1/s1
InChIKey
ABUXQYVDSAVPKN-YTWAJWBKSA-N
Compound name
2-O-tert-butyl 3-O-ethyl (1R,3S,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 166.2
[M+Na]+ 307.16282 170.6
[M+NH4]+ 302.20742 171.3
[M+K]+ 323.13676 172.4
[M-H]- 283.16632 163.0
[M+Na-2H]- 305.14827 163.2
[M]+ 284.17305 165.2
[M]- 284.17415 165.2
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

No patent data available for this compound.