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

24
Patents

144.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 129.6
[M+Na]+ 167.07909 136.4
[M-H]- 143.08259 131.6
[M+NH4]+ 162.12369 149.6
[M+K]+ 183.05303 136.6
[M+H-H2O]+ 127.08713 123.4
[M+HCOO]- 189.08807 151.7
[M+CH3COO]- 203.10372 174.1
[M+Na-2H]- 165.06454 134.5
[M]+ 144.08932 128.0
[M]- 144.09042 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