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

73
Patents

153.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 128.9
[M+Na]+ 176.05044 136.8
[M-H]- 152.05394 133.1
[M+NH4]+ 171.09504 153.2
[M+K]+ 192.02438 133.8
[M+H-H2O]+ 136.05848 124.2
[M+HCOO]- 198.05942 146.9
[M+CH3COO]- 212.07507 142.7
[M+Na-2H]- 174.03589 132.1
[M]+ 153.06067 126.5
[M]- 153.06177 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