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 170.1
[M+Na]+ 307.16282 175.8
[M-H]- 283.16632 171.2
[M+NH4]+ 302.20742 189.7
[M+K]+ 323.13676 175.2
[M+H-H2O]+ 267.17086 165.7
[M+HCOO]- 329.17180 186.4
[M+CH3COO]- 343.18745 202.9
[M+Na-2H]- 305.14827 168.8
[M]+ 284.17305 172.0
[M]- 284.17415 172.0
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.