CID 114285

Benzothiazole, 6-methoxy-2,5-dimethyl-

Structural Information

Molecular Formula
C10H11NOS
SMILES
CC1=CC2=C(C=C1OC)SC(=N2)C
InChI
InChI=1S/C10H11NOS/c1-6-4-8-10(5-9(6)12-3)13-7(2)11-8/h4-5H,1-3H3
InChIKey
AVBHDKMHDNTVLR-UHFFFAOYSA-N
Compound name
6-methoxy-2,5-dimethyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

9
Patents

193.05614 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06342 137.4
[M+Na]+ 216.04536 150.2
[M-H]- 192.04886 142.4
[M+NH4]+ 211.08996 160.4
[M+K]+ 232.01930 147.0
[M+H-H2O]+ 176.05340 132.2
[M+HCOO]- 238.05434 157.7
[M+CH3COO]- 252.06999 152.7
[M+Na-2H]- 214.03081 141.5
[M]+ 193.05559 144.4
[M]- 193.05669 144.4
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