CID 28063292

(2,1,3-benzothiadiazol-5-ylmethyl)methylamine hydrochloride

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]+ 180.058986 132.7
[M+Na]+ 202.040928 143.9
[M-H]- 178.044434 135.7
[M+NH4]+ 197.085533 153.9
[M+K]+ 218.014868 140.4
[M+H-H2O]+ 162.048970 126.2
[M+HCOO]- 224.049911 153.2
[M+CH3COO]- 238.065561 147.0
[M+Na-2H]- 200.026376 139.6
[M]+ 179.05116142 136.5
[M]- 179.05225858 136.5
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.