CID 3434154

2-ethoxybenzothiazole

Structural Information

Molecular Formula
C9H9NOS
SMILES
CCOC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C9H9NOS/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
InChIKey
LLQCHJGEDKLPOX-UHFFFAOYSA-N
Compound name
2-ethoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

179.04048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 133.4
[M+Na]+ 202.02970 145.0
[M-H]- 178.03320 137.9
[M+NH4]+ 197.07430 156.3
[M+K]+ 218.00364 142.0
[M+H-H2O]+ 162.03774 127.9
[M+HCOO]- 224.03868 154.2
[M+CH3COO]- 238.05433 148.5
[M+Na-2H]- 200.01515 139.3
[M]+ 179.03993 139.2
[M]- 179.04103 139.2
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