CID 28395395

3-(3-aminopropyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1COC(=O)N1CCCN
InChI
InChI=1S/C6H12N2O2/c7-2-1-3-8-4-5-10-6(8)9/h1-5,7H2
InChIKey
CGWMNQRJDFNOCF-UHFFFAOYSA-N
Compound name
3-(3-aminopropyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

144.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 129.6
[M+Na]+ 167.079088 136.4
[M-H]- 143.082594 131.6
[M+NH4]+ 162.123693 149.6
[M+K]+ 183.053028 136.6
[M+H-H2O]+ 127.087130 123.4
[M+HCOO]- 189.088071 151.7
[M+CH3COO]- 203.103721 174.1
[M+Na-2H]- 165.064536 134.5
[M]+ 144.08932142 128.0
[M]- 144.09041858 128.0
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