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]+ 285.180876 170.1
[M+Na]+ 307.162818 175.8
[M-H]- 283.166324 171.2
[M+NH4]+ 302.207423 189.7
[M+K]+ 323.136758 175.2
[M+H-H2O]+ 267.170860 165.7
[M+HCOO]- 329.171801 186.4
[M+CH3COO]- 343.187451 202.9
[M+Na-2H]- 305.148266 168.8
[M]+ 284.17305142 172.0
[M]- 284.17414858 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.