CID 10487789

Methyl 4-(2-hydroxyethyl)thiophene-2-carboxylate

Structural Information

Molecular Formula

C₈H₁₀O₃S

SMILES

COC(=O)C1=CC(=CS1)CCO

InChI

InChI=1S/C8H10O3S/c1-11-8(10)7-4-6(2-3-9)5-12-7/h4-5,9H,2-3H2,1H3

InChIKey

CZULKROWRXVUNJ-UHFFFAOYSA-N

Compound name

methyl 4-(2-hydroxyethyl)thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 186.03506 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]+	187.04234	139.8
[M+Na]+	209.02428	149.4
[M+NH4]+	204.06888	147.6
[M+K]+	224.99822	144.4
[M-H]-	185.02778	140.0
[M+Na-2H]-	207.00973	143.1
[M]+	186.03451	141.4
[M]-	186.03561	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe