CID 170922

50850-92-5

Structural Information

Molecular Formula
C8H8N2S2
SMILES
CSC1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C8H8N2S2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey
GOZAEIXYKHDTMD-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

85
Patents

196.0129 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02018 134.3
[M+Na]+ 219.00212 146.7
[M-H]- 195.00562 138.2
[M+NH4]+ 214.04672 156.4
[M+K]+ 234.97606 141.5
[M+H-H2O]+ 179.01016 129.3
[M+HCOO]- 241.01110 149.7
[M+CH3COO]- 255.02675 148.5
[M+Na-2H]- 216.98757 137.5
[M]+ 196.01235 138.0
[M]- 196.01345 138.0
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.