CID 3243165

855742-23-3

Structural Information

Molecular Formula

C₇H₁₀N₂O₅S

SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C7H10N2O5S/c1-4-7(5(2)14-9-4)15(12,13)8-3-6(10)11/h8H,3H2,1-2H3,(H,10,11)

InChIKey

ABSWQWNBMXYAMR-UHFFFAOYSA-N

Compound name

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 234.03104 Da
Monoisotopic Mass: -0.3
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]+	235.03832	146.8
[M+Na]+	257.02026	155.9
[M-H]-	233.02376	149.5
[M+NH4]+	252.06486	163.4
[M+K]+	272.99420	155.1
[M+H-H2O]+	217.02830	141.4
[M+HCOO]-	279.02924	163.9
[M+CH3COO]-	293.04489	185.8
[M+Na-2H]-	255.00571	150.1
[M]+	234.03049	151.9
[M]-	234.03159	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.