CID 5325006

Methyl 2-amino-4-cyclopropylthiophene-3-carboxylate

Structural Information

Molecular Formula
C9H11NO2S
SMILES
COC(=O)C1=C(SC=C1C2CC2)N
InChI
InChI=1S/C9H11NO2S/c1-12-9(11)7-6(5-2-3-5)4-13-8(7)10/h4-5H,2-3,10H2,1H3
InChIKey
DZTOLHKNXMQGPM-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-cyclopropylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 143.7
[M+Na]+ 220.04028 154.7
[M+NH4]+ 215.08488 152.7
[M+K]+ 236.01422 151.0
[M-H]- 196.04378 153.2
[M+Na-2H]- 218.02573 150.7
[M]+ 197.05051 149.3
[M]- 197.05161 149.3
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

No patent data available for this compound.