CID 41055

54346-87-1

Structural Information

Molecular Formula
C8H8N2OS
SMILES
COC1=CC2=C(C=C1)SC(=N2)N
InChI
InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
InChIKey
OMIHQJBWAPWLBO-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

218
Patents

180.03574 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe