CID 10197818

874459-29-7

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCC(CCCCC(=O)O)N

InChI

InChI=1S/C8H17NO2/c1-2-7(9)5-3-4-6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

InChIKey

UXMZXDQTOZIONB-UHFFFAOYSA-N

Compound name

6-aminooctanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 159.12593 Da
Monoisotopic Mass: -1.5
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]+	160.133206	139.0
[M+Na]+	182.115148	143.8
[M-H]-	158.118654	137.0
[M+NH4]+	177.159753	158.5
[M+K]+	198.089088	143.0
[M+H-H2O]+	142.123190	133.8
[M+HCOO]-	204.124131	159.6
[M+CH3COO]-	218.139781	179.5
[M+Na-2H]-	180.100596	140.9
[M]+	159.12538142	138.0
[M]-	159.12647858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe