CID 64175833

2309455-54-5

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCOC(=O)C1(CCCOC1)N
InChI
InChI=1S/C8H15NO3/c1-2-12-7(10)8(9)4-3-5-11-6-8/h2-6,9H2,1H3
InChIKey
BQDUOACADYRTDV-UHFFFAOYSA-N
Compound name
ethyl 3-aminooxane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.7
[M+Na]+ 196.09442 142.5
[M-H]- 172.09792 140.8
[M+NH4]+ 191.13902 157.7
[M+K]+ 212.06836 143.7
[M+H-H2O]+ 156.10246 132.5
[M+HCOO]- 218.10340 157.6
[M+CH3COO]- 232.11905 178.5
[M+Na-2H]- 194.07987 143.6
[M]+ 173.10465 135.0
[M]- 173.10575 135.0
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

No patent data available for this compound.