CID 71756923

2-(1,5-dimethyl-1h-pyrrol-2-yl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CC1=CC=C(N1C)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C10H10N2O2S/c1-6-3-4-8(12(6)2)9-11-7(5-15-9)10(13)14/h3-5H,1-2H3,(H,13,14)

InChIKey

OMVBWGOVOFYKNC-UHFFFAOYSA-N

Compound name

2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.0463 Da
Monoisotopic Mass: 1.7
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]+	223.053576	146.4
[M+Na]+	245.035518	158.5
[M-H]-	221.039024	151.6
[M+NH4]+	240.080123	166.4
[M+K]+	261.009458	155.2
[M+H-H2O]+	205.043560	140.5
[M+HCOO]-	267.044501	165.7
[M+CH3COO]-	281.060151	184.1
[M+Na-2H]-	243.020966	145.4
[M]+	222.04575142	151.6
[M]-	222.04684858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.