CID 11804971

4h,5h,6h,7h,8h-thieno[3,2-b]azepine hydrochloride

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CCNC2=C(C1)SC=C2
InChI
InChI=1S/C8H11NS/c1-2-5-9-7-4-6-10-8(7)3-1/h4,6,9H,1-3,5H2
InChIKey
BXQBADSCRTXJPX-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

153.06122 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 128.9
[M+Na]+ 176.05044 137.8
[M+NH4]+ 171.09504 138.3
[M+K]+ 192.02438 132.8
[M-H]- 152.05394 130.7
[M+Na-2H]- 174.03589 133.7
[M]+ 153.06067 131.0
[M]- 153.06177 131.0
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