CID 15132

2-amino-4-methylbenzothiazole

Structural Information

Molecular Formula
C8H8N2S
SMILES
CC1=C2C(=CC=C1)SC(=N2)N
InChI
InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
InChIKey
GRIATXVEXOFBGO-UHFFFAOYSA-N
Compound name
4-methyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

864
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 129.1
[M+Na]+ 187.03004 141.2
[M-H]- 163.03354 133.4
[M+NH4]+ 182.07464 152.3
[M+K]+ 203.00398 137.3
[M+H-H2O]+ 147.03808 123.7
[M+HCOO]- 209.03902 150.2
[M+CH3COO]- 223.05467 144.2
[M+Na-2H]- 185.01549 134.3
[M]+ 164.04027 131.8
[M]- 164.04137 131.8
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