CID 3019606

84029-94-7

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CCCCCC(CCCCC(=O)O)N

InChI

InChI=1S/C11H23NO2/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)

InChIKey

JTCAFTOXSIHBFL-UHFFFAOYSA-N

Compound name

6-aminoundecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 499
Patents: 201.17288 Da
Monoisotopic Mass: 0.0
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]+	202.180156	152.7
[M+Na]+	224.162098	156.3
[M-H]-	200.165604	150.1
[M+NH4]+	219.206703	170.5
[M+K]+	240.136038	154.7
[M+H-H2O]+	184.170140	146.9
[M+HCOO]-	246.171081	172.3
[M+CH3COO]-	260.186731	188.6
[M+Na-2H]-	222.147546	153.0
[M]+	201.17233142	152.9
[M]-	201.17342858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe