CID 82724877

Ethyl 3-[(tert-butoxy)amino]propanoate

Structural Information

Molecular Formula
C9H19NO3
SMILES
CCOC(=O)CCNOC(C)(C)C
InChI
InChI=1S/C9H19NO3/c1-5-12-8(11)6-7-10-13-9(2,3)4/h10H,5-7H2,1-4H3
InChIKey
POLVKIZFUHJUCT-UHFFFAOYSA-N
Compound name
ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 144.7
[M+Na]+ 212.12571 150.4
[M-H]- 188.12921 144.8
[M+NH4]+ 207.17031 164.4
[M+K]+ 228.09965 151.0
[M+H-H2O]+ 172.13375 139.7
[M+HCOO]- 234.13469 167.0
[M+CH3COO]- 248.15034 185.9
[M+Na-2H]- 210.11116 149.9
[M]+ 189.13594 148.7
[M]- 189.13704 148.7
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.