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

62
Patents

165.03607 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 129.4
[M+Na]+ 188.02529 142.5
[M+NH4]+ 183.06989 139.0
[M+K]+ 203.99923 135.7
[M-H]- 164.02879 131.9
[M+Na-2H]- 186.01074 136.4
[M]+ 165.03552 132.4
[M]- 165.03662 132.4
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