CID 831570

Methyl 2-amino-4-(thiophen-2-yl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C10H9NO2S2
SMILES
COC(=O)C1=C(SC=C1C2=CC=CS2)N
InChI
InChI=1S/C10H9NO2S2/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKey
YTPWWVXUJXQDMK-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.00748 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.014756 151.5
[M+Na]+ 261.996698 162.7
[M-H]- 238.000204 159.5
[M+NH4]+ 257.041303 173.5
[M+K]+ 277.970638 158.6
[M+H-H2O]+ 222.004740 146.5
[M+HCOO]- 284.005681 169.4
[M+CH3COO]- 298.021331 188.4
[M+Na-2H]- 259.982146 149.8
[M]+ 239.00693142 156.5
[M]- 239.00802858 156.5
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