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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02228 135.5
[M+Na]+ 205.00422 147.3
[M-H]- 181.00772 137.8
[M+NH4]+ 200.04882 157.9
[M+K]+ 220.97816 145.0
[M+H-H2O]+ 165.01226 130.4
[M+HCOO]- 227.01320 154.3
[M+CH3COO]- 241.02885 149.9
[M+Na-2H]- 202.98967 138.1
[M]+ 182.01445 140.3
[M]- 182.01555 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe