CID 3159646

876716-29-9

Structural Information

Molecular Formula

C₉H₈N₄O₂

SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C=NN=N2

InChI

InChI=1S/C9H8N4O2/c14-9(15)8(13-6-10-11-12-13)7-4-2-1-3-5-7/h1-6,8H,(H,14,15)

InChIKey

SMVWFPKUWFVUKN-UHFFFAOYSA-N

Compound name

2-phenyl-2-(tetrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 204.06473 Da
Monoisotopic Mass: 1.0
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]+	205.07201	142.1
[M+Na]+	227.05395	153.9
[M+NH4]+	222.09855	147.8
[M+K]+	243.02789	151.8
[M-H]-	203.05745	141.8
[M+Na-2H]-	225.03940	149.1
[M]+	204.06418	143.3
[M]-	204.06528	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe