CID 504012

4-amino-2-(3-hydroxypropyl)isoxazolidin-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]+ 161.09208 132.8
[M+Na]+ 183.07402 140.0
[M-H]- 159.07752 133.8
[M+NH4]+ 178.11862 151.6
[M+K]+ 199.04796 139.7
[M+H-H2O]+ 143.08206 126.9
[M+HCOO]- 205.08300 153.5
[M+CH3COO]- 219.09865 174.9
[M+Na-2H]- 181.05947 136.6
[M]+ 160.08425 131.2
[M]- 160.08535 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.