CID 504012

4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one

Structural Information

Molecular Formula
C6H12N2O3
SMILES
C1C(C(=O)N(O1)CCCO)N
InChI
InChI=1S/C6H12N2O3/c7-5-4-11-8(6(5)10)2-1-3-9/h5,9H,1-4,7H2
InChIKey
VXTDCDOBDYYLAW-UHFFFAOYSA-N
Compound name
4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

160.0848 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 132.8
[M+Na]+ 183.074018 140.0
[M-H]- 159.077524 133.8
[M+NH4]+ 178.118623 151.6
[M+K]+ 199.047958 139.7
[M+H-H2O]+ 143.082060 126.9
[M+HCOO]- 205.083001 153.5
[M+CH3COO]- 219.098651 174.9
[M+Na-2H]- 181.059466 136.6
[M]+ 160.08425142 131.2
[M]- 160.08534858 131.2
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

No patent data available for this compound.