CID 14765536

1-benzothiophen-7-amine hydrochloride

Structural Information

Molecular Formula
C8H7NS
SMILES
C1=CC2=C(C(=C1)N)SC=C2
InChI
InChI=1S/C8H7NS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H,9H2
InChIKey
XATYIBVSSKQMDX-UHFFFAOYSA-N
Compound name
1-benzothiophen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
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 124.9
[M+Na]+ 172.01914 136.1
[M-H]- 148.02264 130.3
[M+NH4]+ 167.06374 149.7
[M+K]+ 187.99308 132.3
[M+H-H2O]+ 132.02718 120.2
[M+HCOO]- 194.02812 147.3
[M+CH3COO]- 208.04377 140.4
[M+Na-2H]- 170.00459 131.0
[M]+ 149.02937 126.7
[M]- 149.03047 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