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

36
Patents

177.06122 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 134.0
[M+Na]+ 200.05044 144.3
[M-H]- 176.05394 139.1
[M+NH4]+ 195.09504 157.7
[M+K]+ 216.02438 140.1
[M+H-H2O]+ 160.05848 129.0
[M+HCOO]- 222.05942 155.7
[M+CH3COO]- 236.07507 148.7
[M+Na-2H]- 198.03589 139.1
[M]+ 177.06067 136.6
[M]- 177.06177 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