CID 11344028

942518-19-6

Structural Information

Molecular Formula

SMILES

C#CCC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1

InChIKey

SCGJGNWMYSYORS-YFKPBYRVSA-N

Compound name

(2S)-2-aminohex-5-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 377
Patents: 127.06333 Da
Monoisotopic Mass: -2.4
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]+	128.07061	127.3
[M+Na]+	150.05255	135.4
[M+NH4]+	145.09715	130.4
[M+K]+	166.02649	129.1
[M-H]-	126.05605	118.0
[M+Na-2H]-	148.03800	126.8
[M]+	127.06278	124.6
[M]-	127.06388	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe