CID 444640

7-(carboxyamino)-8-amino-nonanoic acid

Structural Information

Molecular Formula
C10H20N2O4
SMILES
C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N
InChI
InChI=1S/C10H20N2O4/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1
InChIKey
OQNJZSIPDMTUAJ-JGVFFNPUSA-N
Compound name
(7R,8S)-8-amino-7-(carboxyamino)nonanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
Patents

232.1423 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 156.7
[M+Na]+ 255.13152 159.1
[M-H]- 231.13502 152.9
[M+NH4]+ 250.17612 171.8
[M+K]+ 271.10546 158.6
[M+H-H2O]+ 215.13956 150.4
[M+HCOO]- 277.14050 174.8
[M+CH3COO]- 291.15615 192.9
[M+Na-2H]- 253.11697 154.8
[M]+ 232.14175 154.5
[M]- 232.14285 154.5
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.