CID 27397

2-[acetyl(ethyl)amino]ethyl acetate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCN(CCOC(=O)C)C(=O)C
InChI
InChI=1S/C8H15NO3/c1-4-9(7(2)10)5-6-12-8(3)11/h4-6H2,1-3H3
InChIKey
GIBNFOXKSVQBOP-UHFFFAOYSA-N
Compound name
2-[acetyl(ethyl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.0
[M+Na]+ 196.09442 147.1
[M+NH4]+ 191.13902 145.3
[M+K]+ 212.06836 143.6
[M-H]- 172.09792 137.6
[M+Na-2H]- 194.07987 141.2
[M]+ 173.10465 139.3
[M]- 173.10575 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe