CID 11615183

3-(2-oxo-1,3-oxazolidin-3-yl)propanal

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1COC(=O)N1CCC=O
InChI
InChI=1S/C6H9NO3/c8-4-1-2-7-3-5-10-6(7)9/h4H,1-3,5H2
InChIKey
CYCWKKIUYANZCS-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-oxazolidin-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 126.3
[M+Na]+ 166.047458 134.2
[M-H]- 142.050964 128.9
[M+NH4]+ 161.092063 146.8
[M+K]+ 182.021398 134.9
[M+H-H2O]+ 126.055500 120.6
[M+HCOO]- 188.056441 148.5
[M+CH3COO]- 202.072091 171.1
[M+Na-2H]- 164.032906 132.1
[M]+ 143.05769142 127.3
[M]- 143.05878858 127.3
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