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 145.5
[M+Na]+ 244.04028 155.3
[M-H]- 220.04378 149.8
[M+NH4]+ 239.08488 166.9
[M+K]+ 260.01422 151.3
[M+H-H2O]+ 204.04832 140.5
[M+HCOO]- 266.04926 165.5
[M+CH3COO]- 280.06491 186.2
[M+Na-2H]- 242.02573 149.0
[M]+ 221.05051 149.3
[M]- 221.05161 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

No literature data available for this compound.

Patent stripe

patents stripe