CID 3904659

1-(1-benzothiophen-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H11NS
SMILES
CC(C1=CC2=CC=CC=C2S1)N
InChI
InChI=1S/C10H11NS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,11H2,1H3
InChIKey
OELFZKCSIUHOHM-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

177.06122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.068496 135.0
[M+Na]+ 200.050438 144.9
[M-H]- 176.053944 140.1
[M+NH4]+ 195.095043 158.6
[M+K]+ 216.024378 141.2
[M+H-H2O]+ 160.058480 130.0
[M+HCOO]- 222.059421 155.6
[M+CH3COO]- 236.075071 149.5
[M+Na-2H]- 198.035886 138.9
[M]+ 177.06067142 136.9
[M]- 177.06176858 136.9
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