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 135.0
[M+Na]+ 220.04028 145.1
[M-H]- 196.04378 142.8
[M+NH4]+ 215.08488 151.6
[M+K]+ 236.01422 141.5
[M+H-H2O]+ 180.04832 129.3
[M+HCOO]- 242.04926 155.3
[M+CH3COO]- 256.06491 186.7
[M+Na-2H]- 218.02573 135.8
[M]+ 197.05051 139.6
[M]- 197.05161 139.6
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.