CID 3040798

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

Structural Information

Molecular Formula
C10H9NO2S
SMILES
COC(=N)C1=C(C2=CC=CC=C2S1)O
InChI
InChI=1S/C10H9NO2S/c1-13-10(11)9-8(12)6-4-2-3-5-7(6)14-9/h2-5,11-12H,1H3
InChIKey
LPMNHXGRHVZULO-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-1-benzothiophene-2-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.0354 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 141.8
[M+Na]+ 230.02462 153.5
[M+NH4]+ 225.06922 150.8
[M+K]+ 245.99856 147.4
[M-H]- 206.02812 144.1
[M+Na-2H]- 228.01007 147.2
[M]+ 207.03485 144.5
[M]- 207.03595 144.5
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