CID 3040799

Ethyl 3-hydroxybenzo(b)thiophene-2-carboximidate

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CCOC(=N)C1=C(C2=CC=CC=C2S1)O
InChI
InChI=1S/C11H11NO2S/c1-2-14-11(12)10-9(13)7-5-3-4-6-8(7)15-10/h3-6,12-13H,2H2,1H3
InChIKey
RCLDASQIILULNB-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-1-benzothiophene-2-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.05106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05834 146.2
[M+Na]+ 244.04028 157.7
[M+NH4]+ 239.08488 155.1
[M+K]+ 260.01422 151.4
[M-H]- 220.04378 148.5
[M+Na-2H]- 242.02573 151.4
[M]+ 221.05051 148.8
[M]- 221.05161 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe