CID 638565

6-amino-2-ethyl-1,3-benzothiazole

Structural Information

Molecular Formula
C9H10N2S
SMILES
CCC1=NC2=C(S1)C=C(C=C2)N
InChI
InChI=1S/C9H10N2S/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3
InChIKey
JBEXHLHFVASCMQ-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

178.05647 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 133.6
[M+Na]+ 201.045688 145.2
[M-H]- 177.049194 137.7
[M+NH4]+ 196.090293 156.3
[M+K]+ 217.019628 141.1
[M+H-H2O]+ 161.053730 128.1
[M+HCOO]- 223.054671 154.4
[M+CH3COO]- 237.070321 148.3
[M+Na-2H]- 199.031136 138.4
[M]+ 178.05592142 136.7
[M]- 178.05701858 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