CID 65600698

2375259-37-1

Structural Information

Molecular Formula

C₆H₁₀N₄O₂

SMILES

CN1C(=NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C6H10N4O2/c1-10-5(8-3-9-10)2-4(7)6(11)12/h3-4H,2,7H2,1H3,(H,11,12)

InChIKey

CSYASGBTZRLRSE-UHFFFAOYSA-N

Compound name

2-amino-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.08037 Da
Monoisotopic Mass: -3.3
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]+	171.08765	135.3
[M+Na]+	193.06959	143.7
[M+NH4]+	188.11419	140.4
[M+K]+	209.04353	143.2
[M-H]-	169.07309	133.1
[M+Na-2H]-	191.05504	138.1
[M]+	170.07982	135.2
[M]-	170.08092	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe