CID 648800

2-hydroxy-4-pyrrol-1-yl-benzoic acid

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.06552	142.9
[M+Na]+	226.04746	155.1
[M+NH4]+	221.09206	150.1
[M+K]+	242.02140	152.0
[M-H]-	202.05096	144.4
[M+Na-2H]-	224.03291	149.5
[M]+	203.05769	144.8
[M]-	203.05879	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe