CID 853752

53242-70-9

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CN(C=C1)C2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C11H9NO3/c13-10-4-3-8(7-9(10)11(14)15)12-5-1-2-6-12/h1-7,13H,(H,14,15)
InChIKey
RJOWHWZRBQBAMZ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-pyrrol-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

135
Patents

203.05824 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 141.2
[M+Na]+ 226.047458 149.8
[M-H]- 202.050964 144.8
[M+NH4]+ 221.092063 159.3
[M+K]+ 242.021398 146.5
[M+H-H2O]+ 186.055500 134.7
[M+HCOO]- 248.056441 163.0
[M+CH3COO]- 262.072091 178.9
[M+Na-2H]- 224.032906 144.9
[M]+ 203.05769142 140.6
[M]- 203.05878858 140.6
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