CID 699799

2-methyl-1,3-benzothiazol-5-ol

Structural Information

Molecular Formula
C8H7NOS
SMILES
CC1=NC2=C(S1)C=CC(=C2)O
InChI
InChI=1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKey
LAKVUPMDDFICNR-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

824
Patents

165.02484 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.032116 128.8
[M+Na]+ 188.014058 141.3
[M-H]- 164.017564 132.4
[M+NH4]+ 183.058663 151.9
[M+K]+ 203.987998 137.6
[M+H-H2O]+ 148.022100 124.1
[M+HCOO]- 210.023041 148.4
[M+CH3COO]- 224.038691 144.0
[M+Na-2H]- 185.999506 134.2
[M]+ 165.02429142 132.9
[M]- 165.02538858 132.9
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