CID 165993316

2-tert-butyl 1-methyl 4-amino-2-azabicyclo[2.1.1]hexane-1,2-dicarboxylate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)OC)N
InChI
InChI=1S/C12H20N2O4/c1-10(2,3)18-9(16)14-7-11(13)5-12(14,6-11)8(15)17-4/h5-7,13H2,1-4H3
InChIKey
QVRGHDOUPZPSIA-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 1-O-methyl 4-amino-2-azabicyclo[2.1.1]hexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.149576 174.1
[M+Na]+ 279.131518 178.7
[M-H]- 255.135024 173.4
[M+NH4]+ 274.176123 193.5
[M+K]+ 295.105458 181.2
[M+H-H2O]+ 239.139560 167.9
[M+HCOO]- 301.140501 187.4
[M+CH3COO]- 315.156151 199.5
[M+Na-2H]- 277.116966 179.1
[M]+ 256.14175142 188.7
[M]- 256.14284858 188.7
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.