CID 15630

2-amino-6-methoxybenzothiazole

Structural Information

Molecular Formula
C8H8N2OS
SMILES
COC1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey
KZHGPDSVHSDCMX-UHFFFAOYSA-N
Compound name
6-methoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

2377
Patents

180.03574 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 133.5
[M+Na]+ 203.02496 146.5
[M+NH4]+ 198.06956 143.2
[M+K]+ 218.99890 139.9
[M-H]- 179.02846 136.4
[M+Na-2H]- 201.01041 140.0
[M]+ 180.03519 136.7
[M]- 180.03629 136.7
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