CID 648800

35580-52-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

4
Patents

203.05824 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 141.2
[M+Na]+ 226.04746 149.8
[M-H]- 202.05096 144.8
[M+NH4]+ 221.09206 159.3
[M+K]+ 242.02140 146.5
[M+H-H2O]+ 186.05550 134.7
[M+HCOO]- 248.05644 163.0
[M+CH3COO]- 262.07209 178.9
[M+Na-2H]- 224.03291 144.9
[M]+ 203.05769 140.6
[M]- 203.05879 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