CID 2748348

151258-67-2

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

CC1=CC(=C(S1)N2C=CC=C2)C(=O)O

InChI

InChI=1S/C10H9NO2S/c1-7-6-8(10(12)13)9(14-7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)

InChIKey

GHQHUPKIJXQWKT-UHFFFAOYSA-N

Compound name

5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 207.0354 Da
Monoisotopic Mass: 2.3
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]+	208.042676	143.2
[M+Na]+	230.024618	154.5
[M-H]-	206.028124	149.4
[M+NH4]+	225.069223	164.9
[M+K]+	245.998558	151.3
[M+H-H2O]+	190.032660	137.9
[M+HCOO]-	252.033601	163.9
[M+CH3COO]-	266.049251	180.2
[M+Na-2H]-	228.010066	143.1
[M]+	207.03485142	147.6
[M]-	207.03594858	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.