CID 3058007

74375-66-9

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC2=NSN=C2C=C1CN
InChI
InChI=1S/C7H7N3S/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4,8H2
InChIKey
URBXYCAJWJKVEC-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-5-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
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

No literature data available for this compound.

Patent stripe

patents stripe