CID 2772526

90331-19-4

Structural Information

Molecular Formula

C₉H₁₀N₂O₃S

SMILES

CCN1C2=CC=CC=C2N=C1S(=O)(=O)O

InChI

InChI=1S/C9H10N2O3S/c1-2-11-8-6-4-3-5-7(8)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,12,13,14)

InChIKey

CPFYRNMZRZTXRQ-UHFFFAOYSA-N

Compound name

1-ethylbenzimidazole-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 226.04121 Da
Monoisotopic Mass: 0.8
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]+	227.04849	147.4
[M+Na]+	249.03043	159.7
[M+NH4]+	244.07503	154.4
[M+K]+	265.00437	154.7
[M-H]-	225.03393	146.7
[M+Na-2H]-	247.01588	151.9
[M]+	226.04066	149.3
[M]-	226.04176	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe