CID 54426142

2728499-18-9

Structural Information

Molecular Formula
C10H13NS
SMILES
C1CC2=C(C=CC(=C2)CN)SC1
InChI
InChI=1S/C10H13NS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7,11H2
InChIKey
WEFHXQKAAMAHBX-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiochromen-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 134.8
[M+Na]+ 202.06609 147.0
[M+NH4]+ 197.11069 145.8
[M+K]+ 218.04003 137.4
[M-H]- 178.06959 139.3
[M+Na-2H]- 200.05154 141.5
[M]+ 179.07632 138.3
[M]- 179.07742 138.3
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

No patent data available for this compound.