CID 1497786

3-(2-amino-1,3-thiazol-4-yl)phenol

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC(=CC(=C1)O)C2=CSC(=N2)N
InChI
InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6/h1-5,12H,(H2,10,11)
InChIKey
DSTSMWRMFXIWCT-UHFFFAOYSA-N
Compound name
3-(2-amino-1,3-thiazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

192.03574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 137.3
[M+Na]+ 215.024958 147.3
[M-H]- 191.028464 142.2
[M+NH4]+ 210.069563 157.1
[M+K]+ 230.998898 142.9
[M+H-H2O]+ 175.033000 131.1
[M+HCOO]- 237.033941 157.0
[M+CH3COO]- 251.049591 151.0
[M+Na-2H]- 213.010406 140.1
[M]+ 192.03519142 137.1
[M]- 192.03628858 137.1
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