CID 759779

299965-85-8

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC1=NC2=C(S1)C=C(C(=C2)OC)N
InChI
InChI=1S/C9H10N2OS/c1-5-11-7-4-8(12-2)6(10)3-9(7)13-5/h3-4H,10H2,1-2H3
InChIKey
RHXTVXUTSAGLOS-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

194.05139 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 137.2
[M+Na]+ 217.040608 149.5
[M-H]- 193.044114 141.7
[M+NH4]+ 212.085213 159.4
[M+K]+ 233.014548 145.9
[M+H-H2O]+ 177.048650 131.8
[M+HCOO]- 239.049591 158.1
[M+CH3COO]- 253.065241 152.1
[M+Na-2H]- 215.026056 141.4
[M]+ 194.05084142 142.1
[M]- 194.05193858 142.1
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