CID 3297439

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

Structural Information

Molecular Formula
C9H13NO4
SMILES
C1CC(=O)N(C1=O)CCCCC(=O)O
InChI
InChI=1S/C9H13NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h1-6H2,(H,13,14)
InChIKey
YSVHVEDBGWJYSI-UHFFFAOYSA-N
Compound name
5-(2,5-dioxopyrrolidin-1-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

199.08446 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 142.1
[M+Na]+ 222.07368 149.1
[M-H]- 198.07718 142.7
[M+NH4]+ 217.11828 161.0
[M+K]+ 238.04762 147.5
[M+H-H2O]+ 182.08172 136.3
[M+HCOO]- 244.08266 162.0
[M+CH3COO]- 258.09831 180.9
[M+Na-2H]- 220.05913 143.1
[M]+ 199.08391 142.2
[M]- 199.08501 142.2
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