CID 106481

5-hydroxyisophthalamide

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1=C(C=C(C=C1C(=O)N)O)C(=O)N

InChI

InChI=1S/C8H8N2O3/c9-7(12)4-1-5(8(10)13)3-6(11)2-4/h1-3,11H,(H2,9,12)(H2,10,13)

InChIKey

DAKUZVFMMZMWMT-UHFFFAOYSA-N

Compound name

5-hydroxybenzene-1,3-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 180.0535 Da
Monoisotopic Mass: -0.7
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]+	181.060776	135.9
[M+Na]+	203.042718	143.3
[M-H]-	179.046224	137.9
[M+NH4]+	198.087323	154.0
[M+K]+	219.016658	141.4
[M+H-H2O]+	163.050760	130.0
[M+HCOO]-	225.051701	159.0
[M+CH3COO]-	239.067351	183.2
[M+Na-2H]-	201.028166	138.5
[M]+	180.05295142	132.3
[M]-	180.05404858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe