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

2
Patents

212.02556 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03284 142.9
[M+Na]+ 235.01478 149.5
[M-H]- 211.01828 143.7
[M+NH4]+ 230.05938 159.7
[M+K]+ 250.98872 145.7
[M+H-H2O]+ 195.02282 136.9
[M+HCOO]- 257.02376 159.5
[M+CH3COO]- 271.03941 184.6
[M+Na-2H]- 233.00023 143.6
[M]+ 212.02501 140.5
[M]- 212.02611 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