CID 71435968

2243503-35-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C#CCCCC(C(=O)O)N

InChI

InChI=1S/C7H11NO2/c1-2-3-4-5-6(8)7(9)10/h1,6H,3-5,8H2,(H,9,10)

InChIKey

IJQLLGJUHGAQIC-UHFFFAOYSA-N

Compound name

2-aminohept-6-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 230
Patents: 141.07898 Da
Monoisotopic Mass: -2.1
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]+	142.08626	131.2
[M+Na]+	164.06820	139.2
[M+NH4]+	159.11280	134.2
[M+K]+	180.04214	132.6
[M-H]-	140.07170	121.9
[M+Na-2H]-	162.05365	130.6
[M]+	141.07843	128.5
[M]-	141.07953	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe