CID 3003570

(2,6-dihydroxyphenyl)thiourea

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1=CC(=C(C(=C1)O)NC(=S)N)O
InChI
InChI=1S/C7H8N2O2S/c8-7(12)9-6-4(10)2-1-3-5(6)11/h1-3,10-11H,(H3,8,9,12)
InChIKey
FURAVUCNFXADMN-UHFFFAOYSA-N
Compound name
(2,6-dihydroxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.03065 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 135.7
[M+Na]+ 207.01987 143.1
[M-H]- 183.02337 136.7
[M+NH4]+ 202.06447 154.0
[M+K]+ 222.99381 139.0
[M+H-H2O]+ 167.02791 130.1
[M+HCOO]- 229.02885 153.3
[M+CH3COO]- 243.04450 179.2
[M+Na-2H]- 205.00532 137.9
[M]+ 184.03010 132.9
[M]- 184.03120 132.9
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

No patent data available for this compound.