CID 12694716

2-methoxy-1,3-benzothiazol-6-amine

Structural Information

Molecular Formula
C8H8N2OS
SMILES
COC1=NC2=C(S1)C=C(C=C2)N
InChI
InChI=1S/C8H8N2OS/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3
InChIKey
LMDPSNUTSFKGTO-UHFFFAOYSA-N
Compound name
2-methoxy-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

180.03574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 132.5
[M+Na]+ 203.02496 144.4
[M-H]- 179.02846 136.8
[M+NH4]+ 198.06956 155.0
[M+K]+ 218.99890 141.1
[M+H-H2O]+ 163.03300 127.0
[M+HCOO]- 225.03394 153.9
[M+CH3COO]- 239.04959 147.5
[M+Na-2H]- 201.01041 137.9
[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

No literature data available for this compound.

Patent stripe

patents stripe