CID 23273872

57078-99-6

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

C1=CC(=O)N(C1=O)CCCCC(=O)O

InChI

InChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5H,1-3,6H2,(H,13,14)

InChIKey

ACVAAFHNDGTZLL-UHFFFAOYSA-N

Compound name

5-(2,5-dioxopyrrol-1-yl)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 442
Patents: 197.0688 Da
Monoisotopic Mass: 0.6
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]+	198.07608	140.2
[M+Na]+	220.05802	148.2
[M-H]-	196.06152	141.2
[M+NH4]+	215.10262	159.3
[M+K]+	236.03196	146.5
[M+H-H2O]+	180.06606	134.4
[M+HCOO]-	242.06700	161.6
[M+CH3COO]-	256.08265	180.5
[M+Na-2H]-	218.04347	142.2
[M]+	197.06825	141.7
[M]-	197.06935	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe