CID 5312963

9-aminodecanoic acid

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(CCCCCCCC(=O)O)N

InChI

InChI=1S/C10H21NO2/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)

InChIKey

FWPKWVUFQDXPBW-UHFFFAOYSA-N

Compound name

9-aminodecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 187.15723 Da
Monoisotopic Mass: -0.4
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]+	188.16451	148.1
[M+Na]+	210.14645	152.2
[M-H]-	186.14995	145.7
[M+NH4]+	205.19105	166.5
[M+K]+	226.12039	150.8
[M+H-H2O]+	170.15449	142.6
[M+HCOO]-	232.15543	168.1
[M+CH3COO]-	246.17108	185.5
[M+Na-2H]-	208.13190	149.0
[M]+	187.15668	148.0
[M]-	187.15778	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe