CID 109624

2-benzothiazolamine, 4-hydrazinyl-

Structural Information

Molecular Formula
C7H8N4S
SMILES
C1=CC(=C2C(=C1)SC(=N2)N)NN
InChI
InChI=1S/C7H8N4S/c8-7-10-6-4(11-9)2-1-3-5(6)12-7/h1-3,11H,9H2,(H2,8,10)
InChIKey
VRMKCGYEAQPCHY-UHFFFAOYSA-N
Compound name
4-hydrazinyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04697 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 129.9
[M+Na]+ 203.03619 140.5
[M-H]- 179.03969 133.6
[M+NH4]+ 198.08079 151.3
[M+K]+ 219.01013 136.3
[M+H-H2O]+ 163.04423 123.8
[M+HCOO]- 225.04517 152.6
[M+CH3COO]- 239.06082 144.0
[M+Na-2H]- 201.02164 136.2
[M]+ 180.04642 129.9
[M]- 180.04752 129.9
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.