CID 13072089

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

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC2=C(CNC1)C=CS2
InChI
InChI=1S/C8H11NS/c1-2-8-7(3-5-10-8)6-9-4-1/h3,5,9H,1-2,4,6H2
InChIKey
QCMKVZZHNHJLAQ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

153.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 130.2
[M+Na]+ 176.05044 135.5
[M-H]- 152.05394 132.9
[M+NH4]+ 171.09504 151.0
[M+K]+ 192.02438 135.8
[M+H-H2O]+ 136.05848 125.1
[M+HCOO]- 198.05942 144.4
[M+CH3COO]- 212.07507 142.1
[M+Na-2H]- 174.03589 133.1
[M]+ 153.06067 124.4
[M]- 153.06177 124.4
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