CID 5312965

(2s)-2-aminoheptanoic acid

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1

InChIKey

RDFMDVXONNIGBC-LURJTMIESA-N

Compound name

(2S)-2-aminoheptanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 12197
Patents: 145.11028 Da
Monoisotopic Mass: -1.0
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	134.4
[M+Na]+	168.09950	139.7
[M-H]-	144.10300	132.5
[M+NH4]+	163.14410	154.4
[M+K]+	184.07344	139.1
[M+H-H2O]+	128.10754	129.4
[M+HCOO]-	190.10848	155.3
[M+CH3COO]-	204.12413	176.4
[M+Na-2H]-	166.08495	136.8
[M]+	145.10973	133.1
[M]-	145.11083	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe