CID 2795209

Benzo[c][1,2,5]thiadiazol-4-ylmethanamine

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC2=NSN=C2C(=C1)CN
InChI
InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2
InChIKey
HMEXAOROCQLCJX-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.03607 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 128.4
[M+Na]+ 188.025288 140.2
[M-H]- 164.028794 131.1
[M+NH4]+ 183.069893 150.0
[M+K]+ 203.999228 136.5
[M+H-H2O]+ 148.033330 122.2
[M+HCOO]- 210.034271 148.7
[M+CH3COO]- 224.049921 143.0
[M+Na-2H]- 186.010736 134.9
[M]+ 165.03552142 131.0
[M]- 165.03661858 131.0
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