CID 55284631

5-(aminomethyl)-3-ethyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CCN1CC(OC1=O)CN
InChI
InChI=1S/C6H12N2O2/c1-2-8-4-5(3-7)10-6(8)9/h5H,2-4,7H2,1H3
InChIKey
NENLJFGOBLUMHH-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-3-ethyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

144.08987 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 129.5
[M+Na]+ 167.07909 137.3
[M-H]- 143.08259 132.0
[M+NH4]+ 162.12369 149.9
[M+K]+ 183.05303 137.5
[M+H-H2O]+ 127.08713 123.7
[M+HCOO]- 189.08807 151.6
[M+CH3COO]- 203.10372 175.3
[M+Na-2H]- 165.06454 133.8
[M]+ 144.08932 128.4
[M]- 144.09042 128.4
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