CID 2777610

Methyl 4-aminothiophene-3-carboxylate

Structural Information

Molecular Formula
C6H7NO2S
SMILES
COC(=O)C1=CSC=C1N
InChI
InChI=1S/C6H7NO2S/c1-9-6(8)4-2-10-3-5(4)7/h2-3H,7H2,1H3
InChIKey
BUFZZXCVOFBHLS-UHFFFAOYSA-N
Compound name
methyl 4-aminothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

424
Patents

157.01974 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe