CID 43155198

6-methyl-3,4-dihydro-2h-1-benzothiopyran-4-amine

Structural Information

Molecular Formula
C10H13NS
SMILES
CC1=CC2=C(C=C1)SCCC2N
InChI
InChI=1S/C10H13NS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9H,4-5,11H2,1H3
InChIKey
TZWIMFKGHRPBNI-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.084146 134.4
[M+Na]+ 202.066088 142.1
[M-H]- 178.069594 138.5
[M+NH4]+ 197.110693 156.0
[M+K]+ 218.040028 138.3
[M+H-H2O]+ 162.074130 129.0
[M+HCOO]- 224.075071 150.9
[M+CH3COO]- 238.090721 147.4
[M+Na-2H]- 200.051536 138.6
[M]+ 179.07632142 132.1
[M]- 179.07741858 132.1
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.