CID 73509

Homoserine lactone

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1COC(=O)C1N
InChI
InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
InChIKey
QJPWUUJVYOJNMH-UHFFFAOYSA-N
Compound name
3-aminooxolan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

801
References

6442
Patents

101.047676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.054952 116.0
[M+Na]+ 124.036894 123.7
[M-H]- 100.040400 119.9
[M+NH4]+ 119.081499 139.1
[M+K]+ 140.010834 124.4
[M+H-H2O]+ 84.044936 111.4
[M+HCOO]- 146.045877 140.0
[M+CH3COO]- 160.061527 165.3
[M+Na-2H]- 122.022342 122.2
[M]+ 101.04712742 113.2
[M]- 101.04822458 113.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe