CID 640712

16621-62-8

Structural Information

Molecular Formula
C8H9N3S
SMILES
CN(C1=NC2=CC=CC=C2S1)N
InChI
InChI=1S/C8H9N3S/c1-11(9)8-10-6-4-2-3-5-7(6)12-8/h2-5H,9H2,1H3
InChIKey
XMBLEHYSCJNOHQ-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-1-methylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

179.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 132.8
[M+Na]+ 202.040928 143.1
[M-H]- 178.044434 138.1
[M+NH4]+ 197.085533 155.3
[M+K]+ 218.014868 140.6
[M+H-H2O]+ 162.048970 126.5
[M+HCOO]- 224.049911 155.3
[M+CH3COO]- 238.065561 147.5
[M+Na-2H]- 200.026376 138.8
[M]+ 179.05116142 135.6
[M]- 179.05225858 135.6
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