CID 85921

15857-70-2

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

82
Patents

165.06122 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe