CID 4216372

58094-17-0

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC(C2=C(C1)SC=C2)N
InChI
InChI=1S/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
InChIKey
VPBWFYNSOJYNJP-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1-benzothiophen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

153.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 128.9
[M+Na]+ 176.050438 136.8
[M-H]- 152.053944 133.1
[M+NH4]+ 171.095043 153.2
[M+K]+ 192.024378 133.8
[M+H-H2O]+ 136.058480 124.2
[M+HCOO]- 198.059421 146.9
[M+CH3COO]- 212.075071 142.7
[M+Na-2H]- 174.035886 132.1
[M]+ 153.06067142 126.5
[M]- 153.06176858 126.5
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