CID 10773224

Methyl 4-aminothiophene-2-carboxylate

Structural Information

Molecular Formula
C6H7NO2S
SMILES
COC(=O)C1=CC(=CS1)N
InChI
InChI=1S/C6H7NO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,7H2,1H3
InChIKey
HCRQNZWIOUMCOW-UHFFFAOYSA-N
Compound name
methyl 4-aminothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

157.01974 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 130.4
[M+Na]+ 180.00896 139.3
[M-H]- 156.01246 134.4
[M+NH4]+ 175.05356 153.3
[M+K]+ 195.98290 137.8
[M+H-H2O]+ 140.01700 125.2
[M+HCOO]- 202.01794 151.3
[M+CH3COO]- 216.03359 174.8
[M+Na-2H]- 177.99441 132.0
[M]+ 157.01919 132.2
[M]- 157.02029 132.2
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