CID 202211

7765-88-0

Structural Information

Molecular Formula
C8H8N2S
SMILES
CNC1=NSC2=CC=CC=C21
InChI
InChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)11-10-8/h2-5H,1H3,(H,9,10)
InChIKey
PBOWATRTPOODND-UHFFFAOYSA-N
Compound name
N-methyl-1,2-benzothiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

164.04082 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 129.7
[M+Na]+ 187.03004 143.2
[M+NH4]+ 182.07464 140.2
[M+K]+ 203.00398 135.6
[M-H]- 163.03354 133.3
[M+Na-2H]- 185.01549 137.4
[M]+ 164.04027 133.2
[M]- 164.04137 133.2
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