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]+ 198.058336 135.0
[M+Na]+ 220.040278 145.1
[M-H]- 196.043784 142.8
[M+NH4]+ 215.084883 151.6
[M+K]+ 236.014218 141.5
[M+H-H2O]+ 180.048320 129.3
[M+HCOO]- 242.049261 155.3
[M+CH3COO]- 256.064911 186.7
[M+Na-2H]- 218.025726 135.8
[M]+ 197.05051142 139.6
[M]- 197.05160858 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.