CID 566585

143832-52-4

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

C(C1=NC(=NN1)N)C(=O)O

InChI

InChI=1S/C4H6N4O2/c5-4-6-2(7-8-4)1-3(9)10/h1H2,(H,9,10)(H3,5,6,7,8)

InChIKey

ONMNOXQLJYNSKN-UHFFFAOYSA-N

Compound name

2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 142.04907 Da
Monoisotopic Mass: -0.9
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]+	143.05635	126.9
[M+Na]+	165.03829	135.4
[M-H]-	141.04179	124.0
[M+NH4]+	160.08289	144.2
[M+K]+	181.01223	133.4
[M+H-H2O]+	125.04633	119.6
[M+HCOO]-	187.04727	146.9
[M+CH3COO]-	201.06292	169.0
[M+Na-2H]-	163.02374	131.6
[M]+	142.04852	123.5
[M]-	142.04962	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe