CID 6455180

Diethyl 2-aminononanedioate

Structural Information

Molecular Formula
C13H25NO4
SMILES
CCOC(=O)CCCCCCC(C(=O)OCC)N
InChI
InChI=1S/C13H25NO4/c1-3-17-12(15)10-8-6-5-7-9-11(14)13(16)18-4-2/h11H,3-10,14H2,1-2H3
InChIKey
YHIMFWJZBVHIPZ-UHFFFAOYSA-N
Compound name
diethyl 2-aminononanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

259.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.185616 165.8
[M+Na]+ 282.167558 169.1
[M-H]- 258.171064 164.4
[M+NH4]+ 277.212163 181.9
[M+K]+ 298.141498 168.9
[M+H-H2O]+ 242.175600 159.3
[M+HCOO]- 304.176541 186.1
[M+CH3COO]- 318.192191 199.8
[M+Na-2H]- 280.153006 164.6
[M]+ 259.17779142 170.2
[M]- 259.17888858 170.2
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

patents stripe