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

2
Patents

239.00748 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01476 151.5
[M+Na]+ 261.99670 162.7
[M-H]- 238.00020 159.5
[M+NH4]+ 257.04130 173.5
[M+K]+ 277.97064 158.6
[M+H-H2O]+ 222.00474 146.5
[M+HCOO]- 284.00568 169.4
[M+CH3COO]- 298.02133 188.4
[M+Na-2H]- 259.98215 149.8
[M]+ 239.00693 156.5
[M]- 239.00803 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