CID 4962239

852851-86-6

Structural Information

Molecular Formula

C₉H₁₀N₂O₃S

SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)N

InChI

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

InChIKey

FUXAZMZRMRYBFX-UHFFFAOYSA-N

Compound name

5-ethylsulfonyl-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.04121 Da
Monoisotopic Mass: 1.4
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]+	227.048486	145.2
[M+Na]+	249.030428	157.2
[M-H]-	225.033934	150.2
[M+NH4]+	244.075033	164.3
[M+K]+	265.004368	154.8
[M+H-H2O]+	209.038470	139.9
[M+HCOO]-	271.039411	164.5
[M+CH3COO]-	285.055061	186.4
[M+Na-2H]-	247.015876	151.7
[M]+	226.04066142	151.0
[M]-	226.04175858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe