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

77
Patents

179.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 132.8
[M+Na]+ 202.04093 143.1
[M-H]- 178.04443 138.1
[M+NH4]+ 197.08553 155.3
[M+K]+ 218.01487 140.6
[M+H-H2O]+ 162.04897 126.5
[M+HCOO]- 224.04991 155.3
[M+CH3COO]- 238.06556 147.5
[M+Na-2H]- 200.02638 138.8
[M]+ 179.05116 135.6
[M]- 179.05226 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