CID 2736868

306936-39-0

Structural Information

Molecular Formula

C₈H₁₁NO₅S

SMILES

CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)O

InChI

InChI=1S/C8H11NO5S/c1-5-6(8(10)11)4-7(14-5)15(12,13)9(2)3/h4H,1-3H3,(H,10,11)

InChIKey

DUFCMRCMPHIFTR-UHFFFAOYSA-N

Compound name

5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16727
Patents: 233.0358 Da
Monoisotopic Mass: 0.4
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]+	234.04308	146.5
[M+Na]+	256.02502	155.3
[M-H]-	232.02852	151.9
[M+NH4]+	251.06962	165.2
[M+K]+	271.99896	155.8
[M+H-H2O]+	216.03306	141.7
[M+HCOO]-	278.03400	165.0
[M+CH3COO]-	292.04965	189.4
[M+Na-2H]-	254.01047	148.9
[M]+	233.03525	152.8
[M]-	233.03635	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe