CID 21806761

322012-65-7

Structural Information

Molecular Formula
C9H11N2OS
SMILES
C[N+]1=C(SC2=C1C=CC(=C2)OC)N
InChI
InChI=1S/C9H10N2OS/c1-11-7-4-3-6(12-2)5-8(7)13-9(11)10/h3-5,10H,1-2H3/p+1
InChIKey
KNTMUWQCLYTQAY-UHFFFAOYSA-O
Compound name
6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.0592 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06648 136.3
[M+Na]+ 218.04842 148.3
[M-H]- 194.05192 141.1
[M+NH4]+ 213.09302 158.1
[M+K]+ 234.02236 139.3
[M+H-H2O]+ 178.05646 133.6
[M+HCOO]- 240.05740 156.9
[M+CH3COO]- 254.07305 177.8
[M+Na-2H]- 216.03387 143.0
[M]+ 195.05865 139.6
[M]- 195.05975 139.6
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