CID 12666893

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

Structural Information

Molecular Formula
C10H11NS
SMILES
C1=CC=C2C(=C1)C=C(S2)CCN
InChI
InChI=1S/C10H11NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5-6,11H2
InChIKey
CXXDPBZCQSWJEZ-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

177.06122 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.068496 134.0
[M+Na]+ 200.050438 144.3
[M-H]- 176.053944 139.1
[M+NH4]+ 195.095043 157.7
[M+K]+ 216.024378 140.1
[M+H-H2O]+ 160.058480 129.0
[M+HCOO]- 222.059421 155.7
[M+CH3COO]- 236.075071 148.7
[M+Na-2H]- 198.035886 139.1
[M]+ 177.06067142 136.6
[M]- 177.06176858 136.6
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