CID 27397

15568-57-7

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	174.112476	138.7
[M+Na]+	196.094418	144.7
[M-H]-	172.097924	140.4
[M+NH4]+	191.139023	159.5
[M+K]+	212.068358	146.5
[M+H-H2O]+	156.102460	133.3
[M+HCOO]-	218.103401	162.6
[M+CH3COO]-	232.119051	186.1
[M+Na-2H]-	194.079866	141.8
[M]+	173.10465142	142.8
[M]-	173.10574858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe