CID 2764450

383675-06-7

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CCOC(=O)C1=CC2=C(S1)C=CC(=C2)N
InChI
InChI=1S/C11H11NO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3
InChIKey
CHFISKGSWVIUIX-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

221.05106 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05834 146.2
[M+Na]+ 244.04028 157.9
[M+NH4]+ 239.08488 155.2
[M+K]+ 260.01422 151.5
[M-H]- 220.04378 148.8
[M+Na-2H]- 242.02573 151.5
[M]+ 221.05051 148.9
[M]- 221.05161 148.9
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