CID 2049839

20174-69-0

Structural Information

Molecular Formula
C8H9N3S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NN
InChI
InChI=1S/C8H9N3S/c1-5-2-3-6-7(4-5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
InChIKey
FKQJZJBFHUUYBV-UHFFFAOYSA-N
Compound name
(6-methyl-1,3-benzothiazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

24
Patents

179.05171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 132.0
[M+Na]+ 202.040928 143.1
[M-H]- 178.044434 136.2
[M+NH4]+ 197.085533 154.2
[M+K]+ 218.014868 139.1
[M+H-H2O]+ 162.048970 126.2
[M+HCOO]- 224.049911 154.0
[M+CH3COO]- 238.065561 146.6
[M+Na-2H]- 200.026376 138.0
[M]+ 179.05116142 134.0
[M]- 179.05225858 134.0
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