CID 178244162

6-methyl-1,3-benzothiazole 1-oxide

Structural Information

Molecular Formula
C8H7NOS
SMILES
CC1=CC2=C(C=C1)N=CS2=O
InChI
InChI=1S/C8H7NOS/c1-6-2-3-7-8(4-6)11(10)5-9-7/h2-5H,1H3
InChIKey
FUXHWRLPYMHEMP-UHFFFAOYSA-N
Compound name
6-methyl-1,3-benzothiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.02484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.032116 129.2
[M+Na]+ 188.014058 141.3
[M-H]- 164.017564 133.8
[M+NH4]+ 183.058663 152.8
[M+K]+ 203.987998 138.2
[M+H-H2O]+ 148.022100 124.2
[M+HCOO]- 210.023041 149.0
[M+CH3COO]- 224.038691 144.6
[M+Na-2H]- 185.999506 134.0
[M]+ 165.02429142 133.0
[M]- 165.02538858 133.0
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

No patent data available for this compound.