CID 85921

(3,4-dihydro-2h-1-benzothiopyran-4-yl)ammonium chloride

Structural Information

Molecular Formula
C9H11NS
SMILES
C1CSC2=CC=CC=C2C1N
InChI
InChI=1S/C9H11NS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2
InChIKey
XMWQQTMIZMZZHJ-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

165.06122 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe