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]+ 287.196546 162.2
[M+Na]+ 309.178488 164.3
[M-H]- 285.181994 164.5
[M+NH4]+ 304.223093 175.4
[M+K]+ 325.152428 169.4
[M+H-H2O]+ 269.186530 155.4
[M+HCOO]- 331.187471 177.3
[M+CH3COO]- 345.203121 203.3
[M+Na-2H]- 307.163936 161.9
[M]+ 286.18872142 158.5
[M]- 286.18981858 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.