CID 3034450

113221-74-2

Structural Information

Molecular Formula

C₃H₄N₄O₂S

SMILES

C(C(=O)O)N1C(=S)N=NN1

InChI

InChI=1S/C3H4N4O2S/c8-2(9)1-7-3(10)4-5-6-7/h1H2,(H,8,9)(H,4,6,10)

InChIKey

UOTQEHLQKASWQO-UHFFFAOYSA-N

Compound name

2-(5-sulfanylidene-2H-tetrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 733
Patents: 160.0055 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]+	161.01278	131.8
[M+Na]+	182.99472	141.4
[M+NH4]+	178.03932	137.0
[M+K]+	198.96866	138.3
[M-H]-	158.99822	128.5
[M+Na-2H]-	180.98017	134.0
[M]+	160.00495	132.1
[M]-	160.00605	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe