CID 137951454

2110346-68-2

Structural Information

Molecular Formula
C14H26N2O4
SMILES
CCOC(=O)C1CCN(CCC1N)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H26N2O4/c1-5-19-12(17)10-6-8-16(9-7-11(10)15)13(18)20-14(2,3)4/h10-11H,5-9,15H2,1-4H3
InChIKey
JNULORTZABIGPU-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 5-aminoazepane-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.18927 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.19655 165.4
[M+Na]+ 309.17849 170.0
[M+NH4]+ 304.22309 169.1
[M+K]+ 325.15243 169.2
[M-H]- 285.18199 163.5
[M+Na-2H]- 307.16394 165.9
[M]+ 286.18872 165.0
[M]- 286.18982 165.0
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.