CID 165999945

2866334-93-0

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](CC[C@H](C1)N)C(=O)OC
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-9(11(16)18-4)5-6-10(14)8-15/h9-10H,5-8,14H2,1-4H3/t9-,10-/m1/s1
InChIKey
MGWDJKHJLXNULX-NXEZZACHSA-N
Compound name
1-O-tert-butyl 3-O-methyl (3R,6R)-6-aminoazepane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.180876 157.8
[M+Na]+ 295.162818 160.3
[M-H]- 271.166324 160.3
[M+NH4]+ 290.207423 171.5
[M+K]+ 311.136758 165.6
[M+H-H2O]+ 255.170860 151.2
[M+HCOO]- 317.171801 173.3
[M+CH3COO]- 331.187451 200.5
[M+Na-2H]- 293.148266 158.0
[M]+ 272.17305142 153.8
[M]- 272.17414858 153.8
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.