CID 346926

57634-55-6

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)O
InChI
InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
InChIKey
QGSJYYIRAFRPIT-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

75
Patents

192.03574 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 138.2
[M+Na]+ 215.02496 150.5
[M+NH4]+ 210.06956 147.2
[M+K]+ 230.99890 144.3
[M-H]- 191.02846 142.0
[M+Na-2H]- 213.01041 145.7
[M]+ 192.03519 141.4
[M]- 192.03629 141.4
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