CID 7009575

4254-88-0

Structural Information

Molecular Formula
C8H15NO4
SMILES
C(CC[C@@H](C(=O)O)N)CCC(=O)O
InChI
InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey
YOFPFYYTUIARDI-LURJTMIESA-N
Compound name
(2S)-2-aminooctanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

573
Patents

189.10011 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 143.5
[M+Na]+ 212.089328 147.9
[M-H]- 188.092834 140.1
[M+NH4]+ 207.133933 160.7
[M+K]+ 228.063268 147.1
[M+H-H2O]+ 172.097370 138.1
[M+HCOO]- 234.098311 162.3
[M+CH3COO]- 248.113961 181.3
[M+Na-2H]- 210.074776 143.7
[M]+ 189.09956142 142.2
[M]- 189.10065858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe