CID 175496

L-2-amino-3-butynoic acid

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1

InChIKey

DSUAJFIEKRKPEE-VKHMYHEASA-N

Compound name

(2S)-2-aminobut-3-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 99.03203 Da
Monoisotopic Mass: -3.1
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]+	100.03931	119.3
[M+Na]+	122.02125	127.8
[M+NH4]+	117.06585	122.8
[M+K]+	137.99519	121.9
[M-H]-	98.024754	110.1
[M+Na-2H]-	120.00670	119.4
[M]+	99.031481	116.7
[M]-	99.032579	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe