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

413
Patents

197.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.2
[M+Na]+ 220.058018 148.2
[M-H]- 196.061524 141.2
[M+NH4]+ 215.102623 159.3
[M+K]+ 236.031958 146.5
[M+H-H2O]+ 180.066060 134.4
[M+HCOO]- 242.067001 161.6
[M+CH3COO]- 256.082651 180.5
[M+Na-2H]- 218.043466 142.2
[M]+ 197.06825142 141.7
[M]- 197.06934858 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe