CID 34829

Benzo(b)thiophene-3-ethylamine, 5-methoxy-

Structural Information

Molecular Formula
C11H13NOS
SMILES
COC1=CC2=C(C=C1)SC=C2CCN
InChI
InChI=1S/C11H13NOS/c1-13-9-2-3-11-10(6-9)8(4-5-12)7-14-11/h2-3,6-7H,4-5,12H2,1H3
InChIKey
DRXBVGGVFBPVDT-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1-benzothiophen-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

207.0718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 142.2
[M+Na]+ 230.06102 152.7
[M-H]- 206.06452 147.3
[M+NH4]+ 225.10562 164.9
[M+K]+ 246.03496 148.7
[M+H-H2O]+ 190.06906 136.9
[M+HCOO]- 252.07000 163.7
[M+CH3COO]- 266.08565 186.7
[M+Na-2H]- 228.04647 146.1
[M]+ 207.07125 146.8
[M]- 207.07235 146.8
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

patents stripe