CID 616616

37422-56-3

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
CC1=CC(=CC(=C1N=NC2=NC=CS2)O)O
InChI
InChI=1S/C10H9N3O2S/c1-6-4-7(14)5-8(15)9(6)12-13-10-11-2-3-16-10/h2-5,14-15H,1H3
InChIKey
LABKTXRFMJIJAU-UHFFFAOYSA-N
Compound name
5-methyl-4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
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

literature stripe

Patent stripe

patents stripe