CID 3865055

N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CCC2=C(C1)C=C(S2)C(=O)NCCO
InChI
InChI=1S/C11H15NO2S/c13-6-5-12-11(14)10-7-8-3-1-2-4-9(8)15-10/h7,13H,1-6H2,(H,12,14)
InChIKey
NDIHTLBDPMZCKH-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.08235 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 148.9
[M+Na]+ 248.07157 154.6
[M-H]- 224.07507 151.5
[M+NH4]+ 243.11617 169.5
[M+K]+ 264.04551 151.3
[M+H-H2O]+ 208.07961 143.7
[M+HCOO]- 270.08055 164.5
[M+CH3COO]- 284.09620 186.0
[M+Na-2H]- 246.05702 150.4
[M]+ 225.08180 148.0
[M]- 225.08290 148.0
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