CID 11513882

N-(3-oxobutanoyl)-dl-homoserine lactone

Structural Information

Molecular Formula
C8H11NO4
SMILES
CC(=O)CC(=O)NC1CCOC1=O
InChI
InChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11)
InChIKey
FIHPLICEAUNEFV-UHFFFAOYSA-N
Compound name
3-oxo-N-(2-oxooxolan-3-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 138.5
[M+Na]+ 208.058018 144.4
[M-H]- 184.061524 142.5
[M+NH4]+ 203.102623 158.1
[M+K]+ 224.031958 145.3
[M+H-H2O]+ 168.066060 133.1
[M+HCOO]- 230.067001 160.7
[M+CH3COO]- 244.082651 181.8
[M+Na-2H]- 206.043466 141.3
[M]+ 185.06825142 138.3
[M]- 185.06934858 138.3
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