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

20
Patents

165.06122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.068496 129.8
[M+Na]+ 188.050438 137.1
[M-H]- 164.053944 133.7
[M+NH4]+ 183.095043 151.7
[M+K]+ 204.024378 133.6
[M+H-H2O]+ 148.058480 124.5
[M+HCOO]- 210.059421 146.7
[M+CH3COO]- 224.075071 143.0
[M+Na-2H]- 186.035886 135.2
[M]+ 165.06067142 126.8
[M]- 165.06176858 126.8
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