CID 66085

8-aminooctanoic acid

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C(CCCC(=O)O)CCCN

InChI

InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)

InChIKey

UQXNEWQGGVUVQA-UHFFFAOYSA-N

Compound name

8-aminooctanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 12029
Patents: 159.12593 Da
Monoisotopic Mass: -2.6
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	138.2
[M+Na]+	182.115148	143.3
[M-H]-	158.118654	136.1
[M+NH4]+	177.159753	157.8
[M+K]+	198.089088	142.0
[M+H-H2O]+	142.123190	133.0
[M+HCOO]-	204.124131	159.9
[M+CH3COO]-	218.139781	178.6
[M+Na-2H]-	180.100596	141.5
[M]+	159.12538142	138.0
[M]-	159.12647858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe