CID 298484

17402-83-4

Structural Information

Molecular Formula
C8H7NS
SMILES
C1=CC(=C2C=CSC2=C1)N
InChI
InChI=1S/C8H7NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2
InChIKey
IRMXPESEXLQKHG-UHFFFAOYSA-N
Compound name
1-benzothiophen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

168
Patents

149.02992 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03720 125.4
[M+Na]+ 172.01914 138.7
[M+NH4]+ 167.06374 136.6
[M+K]+ 187.99308 131.2
[M-H]- 148.02264 129.6
[M+Na-2H]- 170.00459 133.1
[M]+ 149.02937 129.1
[M]- 149.03047 129.1
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