CID 28063292

1269279-89-1

Structural Information

Molecular Formula
C8H9N3S
SMILES
CNCC1=CC2=NSN=C2C=C1
InChI
InChI=1S/C8H9N3S/c1-9-5-6-2-3-7-8(4-6)11-12-10-7/h2-4,9H,5H2,1H3
InChIKey
BYLLNBJLPHZUNF-UHFFFAOYSA-N
Compound name
1-(2,1,3-benzothiadiazol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 133.9
[M+Na]+ 202.04093 147.2
[M+NH4]+ 197.08553 143.6
[M+K]+ 218.01487 139.8
[M-H]- 178.04443 136.6
[M+Na-2H]- 200.02638 141.1
[M]+ 179.05116 137.0
[M]- 179.05226 137.0
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.