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]+ 180.05899 132.7
[M+Na]+ 202.04093 143.9
[M-H]- 178.04443 135.7
[M+NH4]+ 197.08553 153.9
[M+K]+ 218.01487 140.4
[M+H-H2O]+ 162.04897 126.2
[M+HCOO]- 224.04991 153.2
[M+CH3COO]- 238.06556 147.0
[M+Na-2H]- 200.02638 139.6
[M]+ 179.05116 136.5
[M]- 179.05226 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.