CID 131288975

Methyl 5-amino-3-ethylthiophene-2-carboxylate

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CCC1=C(SC(=C1)N)C(=O)OC
InChI
InChI=1S/C8H11NO2S/c1-3-5-4-6(9)12-7(5)8(10)11-2/h4H,3,9H2,1-2H3
InChIKey
JLBPMKJIVVPRPW-UHFFFAOYSA-N
Compound name
methyl 5-amino-3-ethylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.05106 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 138.9
[M+Na]+ 208.04028 147.7
[M-H]- 184.04378 142.9
[M+NH4]+ 203.08488 160.9
[M+K]+ 224.01422 145.7
[M+H-H2O]+ 168.04832 133.6
[M+HCOO]- 230.04926 159.0
[M+CH3COO]- 244.06491 182.0
[M+Na-2H]- 206.02573 138.8
[M]+ 185.05051 141.8
[M]- 185.05161 141.8
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

No patent data available for this compound.