CID 26889

2-amino-5-methylbenzothiazole

Structural Information

Molecular Formula
C8H8N2S
SMILES
CC1=CC2=C(C=C1)SC(=N2)N
InChI
InChI=1S/C8H8N2S/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)
InChIKey
MELAGXOBBSTJPI-UHFFFAOYSA-N
Compound name
5-methyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

164.04082 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 129.9
[M+Na]+ 187.03004 143.4
[M+NH4]+ 182.07464 140.3
[M+K]+ 203.00398 136.3
[M-H]- 163.03354 133.4
[M+Na-2H]- 185.01549 136.9
[M]+ 164.04027 133.4
[M]- 164.04137 133.4
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