CID 64974245

Ethyl 3-(ethoxyamino)butanoate

Structural Information

Molecular Formula
C8H17NO3
SMILES
CCOC(=O)CC(C)NOCC
InChI
InChI=1S/C8H17NO3/c1-4-11-8(10)6-7(3)9-12-5-2/h7,9H,4-6H2,1-3H3
InChIKey
HJWIBXQTIRMVNY-UHFFFAOYSA-N
Compound name
ethyl 3-(ethoxyamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 139.9
[M+Na]+ 198.11007 147.8
[M+NH4]+ 193.15467 146.2
[M+K]+ 214.08401 143.8
[M-H]- 174.11357 138.5
[M+Na-2H]- 196.09552 142.0
[M]+ 175.12030 140.2
[M]- 175.12140 140.2
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.