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 162.2
[M+Na]+ 309.17849 164.3
[M-H]- 285.18199 164.5
[M+NH4]+ 304.22309 175.4
[M+K]+ 325.15243 169.4
[M+H-H2O]+ 269.18653 155.4
[M+HCOO]- 331.18747 177.3
[M+CH3COO]- 345.20312 203.3
[M+Na-2H]- 307.16394 161.9
[M]+ 286.18872 158.5
[M]- 286.18982 158.5
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.