CID 127018542

2248188-63-6

Structural Information

Molecular Formula

C₅H₇N₃O₂S

SMILES

C1=NSN=C1CC(C(=O)O)N

InChI

InChI=1S/C5H7N3O2S/c6-4(5(9)10)1-3-2-7-11-8-3/h2,4H,1,6H2,(H,9,10)

InChIKey

ZMPDFMGFOFLPIX-UHFFFAOYSA-N

Compound name

2-amino-3-(1,2,5-thiadiazol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 173.0259 Da
Monoisotopic Mass: -2.9
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]+	174.03318	134.4
[M+Na]+	196.01512	142.2
[M+NH4]+	191.05972	140.7
[M+K]+	211.98906	139.3
[M-H]-	172.01862	133.2
[M+Na-2H]-	194.00057	137.2
[M]+	173.02535	135.0
[M]-	173.02645	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe