CID 3802855

4-methoxy-2,7-dimethyl-1,3-benzothiazole

Structural Information

Molecular Formula
C10H11NOS
SMILES
CC1=C2C(=C(C=C1)OC)N=C(S2)C
InChI
InChI=1S/C10H11NOS/c1-6-4-5-8(12-3)9-10(6)13-7(2)11-9/h4-5H,1-3H3
InChIKey
GUEHFWNESJJRSP-UHFFFAOYSA-N
Compound name
4-methoxy-2,7-dimethyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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

No literature data available for this compound.

Patent stripe

patents stripe