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

43
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

literature stripe

Patent stripe

patents stripe