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]+ 180.08415 134.4
[M+Na]+ 202.06609 142.1
[M-H]- 178.06959 138.5
[M+NH4]+ 197.11069 156.0
[M+K]+ 218.04003 138.3
[M+H-H2O]+ 162.07413 129.0
[M+HCOO]- 224.07507 150.9
[M+CH3COO]- 238.09072 147.4
[M+Na-2H]- 200.05154 138.6
[M]+ 179.07632 132.1
[M]- 179.07742 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.