CID 173

8-amino-7-oxononanoic acid

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C(=O)CCCCCC(=O)O)N

InChI

InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)

InChIKey

GUAHPAJOXVYFON-UHFFFAOYSA-N

Compound name

8-amino-7-oxononanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 33
References: 8172
Patents: 187.12085 Da
Monoisotopic Mass: -2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.128126	145.1
[M+Na]+	210.110068	149.6
[M-H]-	186.113574	143.0
[M+NH4]+	205.154673	163.2
[M+K]+	226.084008	148.8
[M+H-H2O]+	170.118110	139.6
[M+HCOO]-	232.119051	164.8
[M+CH3COO]-	246.134701	184.6
[M+Na-2H]-	208.095516	145.3
[M]+	187.12030142	144.6
[M]-	187.12139858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.