CID 16782869

2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-3-methylbutanoic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
CC(C)C(C(=O)O)N1C(=O)C=CC1=O
InChI
InChI=1S/C9H11NO4/c1-5(2)8(9(13)14)10-6(11)3-4-7(10)12/h3-5,8H,1-2H3,(H,13,14)
InChIKey
AEDBVOJCMIDZOT-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrol-1-yl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 142.5
[M+Na]+ 220.05802 150.5
[M+NH4]+ 215.10262 147.5
[M+K]+ 236.03196 150.3
[M-H]- 196.06152 139.9
[M+Na-2H]- 218.04347 143.6
[M]+ 197.06825 142.3
[M]- 197.06935 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.