CID 220591

1-benzothiophen-6-amine

Structural Information

Molecular Formula
C8H7NS
SMILES
C1=CC(=CC2=C1C=CS2)N
InChI
InChI=1S/C8H7NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H,9H2
InChIKey
CHKYKCBEIFLRRR-UHFFFAOYSA-N
Compound name
1-benzothiophen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

193
Patents

149.02992 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.037196 124.9
[M+Na]+ 172.019138 136.1
[M-H]- 148.022644 130.3
[M+NH4]+ 167.063743 149.7
[M+K]+ 187.993078 132.3
[M+H-H2O]+ 132.027180 120.2
[M+HCOO]- 194.028121 147.3
[M+CH3COO]- 208.043771 140.4
[M+Na-2H]- 170.004586 131.0
[M]+ 149.02937142 126.7
[M]- 149.03046858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe