CID 13580

7-aminoheptanoic acid

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C(CCCN)CCC(=O)O

InChI

InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)

InChIKey

XDOLZJYETYVRKV-UHFFFAOYSA-N

Compound name

7-aminoheptanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 16741
Patents: 145.11028 Da
Monoisotopic Mass: -3.0
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]+	146.11756	132.6
[M+Na]+	168.09950	140.5
[M+NH4]+	163.14410	139.2
[M+K]+	184.07344	136.1
[M-H]-	144.10300	131.2
[M+Na-2H]-	166.08495	134.6
[M]+	145.10973	132.8
[M]-	145.11083	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe