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]+ 178.06850 135.0
[M+Na]+ 200.05044 144.9
[M-H]- 176.05394 140.1
[M+NH4]+ 195.09504 158.6
[M+K]+ 216.02438 141.2
[M+H-H2O]+ 160.05848 130.0
[M+HCOO]- 222.05942 155.6
[M+CH3COO]- 236.07507 149.5
[M+Na-2H]- 198.03589 138.9
[M]+ 177.06067 136.9
[M]- 177.06177 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