CID 91554301

Methyl 1h-thieno[3,4-d]imidazole-4-carboxylate

Structural Information

Molecular Formula

C₇H₆N₂O₂S

SMILES

COC(=O)C1=C2C(=CS1)NC=N2

InChI

InChI=1S/C7H6N2O2S/c1-11-7(10)6-5-4(2-12-6)8-3-9-5/h2-3H,1H3,(H,8,9)

InChIKey

CESFQXHQSARERP-UHFFFAOYSA-N

Compound name

methyl 1H-thieno[3,4-d]imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 182.015 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]+	183.02228	136.2
[M+Na]+	205.00422	147.0
[M+NH4]+	200.04882	144.3
[M+K]+	220.97816	143.8
[M-H]-	181.00772	135.8
[M+Na-2H]-	202.98967	139.9
[M]+	182.01445	137.9
[M]-	182.01555	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe