CID 3551918

6-methyl-4-(2-thiazolylazo)-resorcinol

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
CC1=CC(=C(C=C1O)O)N=NC2=NC=CS2
InChI
InChI=1S/C10H9N3O2S/c1-6-4-7(9(15)5-8(6)14)12-13-10-11-2-3-16-10/h2-5,14-15H,1H3
InChIKey
WYTAVGNTSZKJHY-UHFFFAOYSA-N
Compound name
4-methyl-6-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

235.04155 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.048826 147.8
[M+Na]+ 258.030768 157.8
[M-H]- 234.034274 154.7
[M+NH4]+ 253.075373 166.5
[M+K]+ 274.004708 154.1
[M+H-H2O]+ 218.038810 140.6
[M+HCOO]- 280.039751 170.6
[M+CH3COO]- 294.055401 192.2
[M+Na-2H]- 256.016216 151.5
[M]+ 235.04100142 151.0
[M]- 235.04209858 151.0
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

patents stripe