CID 78381

Methyl 2-aminothiophene-3-carboxylate

Structural Information

Molecular Formula
C6H7NO2S
SMILES
COC(=O)C1=C(SC=C1)N
InChI
InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3
InChIKey
DGGJQLCAYQCPDD-UHFFFAOYSA-N
Compound name
methyl 2-aminothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

697
Patents

157.01974 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 131.4
[M+Na]+ 180.00896 140.8
[M+NH4]+ 175.05356 139.8
[M+K]+ 195.98290 136.1
[M-H]- 156.01246 132.7
[M+Na-2H]- 177.99441 135.5
[M]+ 157.01919 133.3
[M]- 157.02029 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe