CID 70339

2-(dimethylamino)-1,3-benzothiazol-6-ol

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CN(C)C1=NC2=C(S1)C=C(C=C2)O
InChI
InChI=1S/C9H10N2OS/c1-11(2)9-10-7-4-3-6(12)5-8(7)13-9/h3-5,12H,1-2H3
InChIKey
PTSXJPLARKXKFV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1,3-benzothiazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

194.05139 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 137.5
[M+Na]+ 217.040608 148.5
[M-H]- 193.044114 142.2
[M+NH4]+ 212.085213 159.5
[M+K]+ 233.014548 145.8
[M+H-H2O]+ 177.048650 131.8
[M+HCOO]- 239.049591 158.0
[M+CH3COO]- 253.065241 152.1
[M+Na-2H]- 215.026056 142.2
[M]+ 194.05084142 142.3
[M]- 194.05193858 142.3
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