CID 2759346

2-hydroxy-5-thioureidobenzoic acid

Structural Information

Molecular Formula
C8H8N2O3S
SMILES
C1=CC(=C(C=C1NC(=S)N)C(=O)O)O
InChI
InChI=1S/C8H8N2O3S/c9-8(14)10-4-1-2-6(11)5(3-4)7(12)13/h1-3,11H,(H,12,13)(H3,9,10,14)
InChIKey
RBBIOYKZQUEJHZ-UHFFFAOYSA-N
Compound name
5-(carbamothioylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.02556 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.032836 142.9
[M+Na]+ 235.014778 149.5
[M-H]- 211.018284 143.7
[M+NH4]+ 230.059383 159.7
[M+K]+ 250.988718 145.7
[M+H-H2O]+ 195.022820 136.9
[M+HCOO]- 257.023761 159.5
[M+CH3COO]- 271.039411 184.6
[M+Na-2H]- 233.000226 143.6
[M]+ 212.02501142 140.5
[M]- 212.02610858 140.5
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