CID 76254

2941-72-2

Structural Information

Molecular Formula
C9H9NOS
SMILES
CC1=NC2=C(S1)C=C(C=C2)OC
InChI
InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3
InChIKey
DYHLJSUORLPGNT-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

449
Patents

179.04048 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 133.2
[M+Na]+ 202.02970 145.6
[M-H]- 178.03320 138.0
[M+NH4]+ 197.07430 156.4
[M+K]+ 218.00364 142.6
[M+H-H2O]+ 162.03774 127.9
[M+HCOO]- 224.03868 153.9
[M+CH3COO]- 238.05433 148.6
[M+Na-2H]- 200.01515 138.4
[M]+ 179.03993 139.4
[M]- 179.04103 139.4
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