CID 5278225

N,n-dimethyl-1,4-dihydro-2,3-benzodithiin-6-amine

Structural Information

Molecular Formula
C10H13NS2
SMILES
CN(C)C1=CC2=C(CSSC2)C=C1
InChI
InChI=1S/C10H13NS2/c1-11(2)10-4-3-8-6-12-13-7-9(8)5-10/h3-5H,6-7H2,1-2H3
InChIKey
LLJUCQYGDRQMKU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,4-dihydro-2,3-benzodithiin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

211.04893 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.056206 139.0
[M+Na]+ 234.038148 145.9
[M-H]- 210.041654 144.1
[M+NH4]+ 229.082753 159.9
[M+K]+ 250.012088 142.6
[M+H-H2O]+ 194.046190 133.2
[M+HCOO]- 256.047131 150.8
[M+CH3COO]- 270.062781 151.5
[M+Na-2H]- 232.023596 142.4
[M]+ 211.04838142 139.5
[M]- 211.04947858 139.5
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