CID 8446

2-methylbenzothiazole

Structural Information

Molecular Formula
C8H7NS
SMILES
CC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey
DXYYSGDWQCSKKO-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

10360
Patents

149.02992 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03720 126.1
[M+Na]+ 172.01914 140.9
[M+NH4]+ 167.06374 137.2
[M+K]+ 187.99308 132.9
[M-H]- 148.02264 129.5
[M+Na-2H]- 170.00459 134.1
[M]+ 149.02937 129.9
[M]- 149.03047 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

literature stripe

Patent stripe

patents stripe