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

6
Patents

221.05106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.058336 145.5
[M+Na]+ 244.040278 155.3
[M-H]- 220.043784 149.8
[M+NH4]+ 239.084883 166.9
[M+K]+ 260.014218 151.3
[M+H-H2O]+ 204.048320 140.5
[M+HCOO]- 266.049261 165.5
[M+CH3COO]- 280.064911 186.2
[M+Na-2H]- 242.025726 149.0
[M]+ 221.05051142 149.3
[M]- 221.05160858 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