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

49
Patents

194.05139 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 137.2
[M+Na]+ 217.04061 149.5
[M-H]- 193.04411 141.7
[M+NH4]+ 212.08521 159.4
[M+K]+ 233.01455 145.9
[M+H-H2O]+ 177.04865 131.8
[M+HCOO]- 239.04959 158.1
[M+CH3COO]- 253.06524 152.1
[M+Na-2H]- 215.02606 141.4
[M]+ 194.05084 142.1
[M]- 194.05194 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