CID 12422200

5-methoxybenzothiazole

Structural Information

Molecular Formula
C8H7NOS
SMILES
COC1=CC2=C(C=C1)SC=N2
InChI
InChI=1S/C8H7NOS/c1-10-6-2-3-8-7(4-6)9-5-11-8/h2-5H,1H3
InChIKey
PNJKZDLZKILFNF-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2435
Patents

165.02484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.032116 128.8
[M+Na]+ 188.014058 140.8
[M-H]- 164.017564 133.4
[M+NH4]+ 183.058663 152.3
[M+K]+ 203.987998 138.1
[M+H-H2O]+ 148.022100 123.5
[M+HCOO]- 210.023041 149.9
[M+CH3COO]- 224.038691 144.3
[M+Na-2H]- 185.999506 135.2
[M]+ 165.02429142 134.3
[M]- 165.02538858 134.3
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