CID 3040800

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

Structural Information

Molecular Formula
C12H13NO3S
SMILES
COCCOC(=N)C1=C(C2=CC=CC=C2S1)O
InChI
InChI=1S/C12H13NO3S/c1-15-6-7-16-12(13)11-10(14)8-4-2-3-5-9(8)17-11/h2-5,13-14H,6-7H2,1H3
InChIKey
AZILLMVNWHRULV-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-hydroxy-1-benzothiophene-2-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.06161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06889 153.2
[M+Na]+ 274.05083 162.3
[M-H]- 250.05433 157.3
[M+NH4]+ 269.09543 173.3
[M+K]+ 290.02477 158.6
[M+H-H2O]+ 234.05887 147.8
[M+HCOO]- 296.05981 173.0
[M+CH3COO]- 310.07546 191.3
[M+Na-2H]- 272.03628 156.4
[M]+ 251.06106 158.8
[M]- 251.06216 158.8
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

No patent data available for this compound.