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]+ 236.04883 147.8
[M+Na]+ 258.03077 157.8
[M-H]- 234.03427 154.7
[M+NH4]+ 253.07537 166.5
[M+K]+ 274.00471 154.1
[M+H-H2O]+ 218.03881 140.6
[M+HCOO]- 280.03975 170.6
[M+CH3COO]- 294.05540 192.2
[M+Na-2H]- 256.01622 151.5
[M]+ 235.04100 151.0
[M]- 235.04210 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