CID 13371375

3,4-dihydro-2h-1-benzothiopyran-8-amine hydrochloride

Structural Information

Molecular Formula
C9H11NS
SMILES
C1CC2=C(C(=CC=C2)N)SC1
InChI
InChI=1S/C9H11NS/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5H,2,4,6,10H2
InChIKey
XVLIVDNUXFJPLY-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiochromen-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

165.06122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 130.3
[M+Na]+ 188.05044 142.7
[M+NH4]+ 183.09504 141.5
[M+K]+ 204.02438 133.4
[M-H]- 164.05394 134.9
[M+Na-2H]- 186.03589 137.3
[M]+ 165.06067 133.9
[M]- 165.06177 133.9
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