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]+ 190.143766 144.7
[M+Na]+ 212.125708 150.4
[M-H]- 188.129214 144.8
[M+NH4]+ 207.170313 164.4
[M+K]+ 228.099648 151.0
[M+H-H2O]+ 172.133750 139.7
[M+HCOO]- 234.134691 167.0
[M+CH3COO]- 248.150341 185.9
[M+Na-2H]- 210.111156 149.9
[M]+ 189.13594142 148.7
[M]- 189.13703858 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.