CID 3009115

2-(2-hydroxy-1,1-dimethyl-ethyl)-1,2-benzothiazole-3-thione

Structural Information

Molecular Formula
C11H13NOS2
SMILES
CC(C)(CO)N1C(=S)C2=CC=CC=C2S1
InChI
InChI=1S/C11H13NOS2/c1-11(2,7-13)12-10(14)8-5-3-4-6-9(8)15-12/h3-6,13H,7H2,1-2H3
InChIKey
KGLAPGPWVDRNIZ-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-2-methylpropan-2-yl)-1,2-benzothiazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05113 150.4
[M+Na]+ 262.03307 162.1
[M-H]- 238.03657 153.3
[M+NH4]+ 257.07767 170.6
[M+K]+ 278.00701 156.3
[M+H-H2O]+ 222.04111 145.9
[M+HCOO]- 284.04205 161.9
[M+CH3COO]- 298.05770 186.9
[M+Na-2H]- 260.01852 152.8
[M]+ 239.04330 155.2
[M]- 239.04440 155.2
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.