CID 113042

63134-04-3

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CCNC1=C(C=CC(=C1)NC(=O)C)C

InChI

InChI=1S/C11H16N2O/c1-4-12-11-7-10(13-9(3)14)6-5-8(11)2/h5-7,12H,4H2,1-3H3,(H,13,14)

InChIKey

MRNDZGBBVKUGJY-UHFFFAOYSA-N

Compound name

N-[3-(ethylamino)-4-methylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 192.12627 Da
Monoisotopic Mass: 2.4
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]+	193.13355	144.1
[M+Na]+	215.11549	155.1
[M+NH4]+	210.16009	152.0
[M+K]+	231.08943	148.9
[M-H]-	191.11899	147.1
[M+Na-2H]-	213.10094	150.3
[M]+	192.12572	146.3
[M]-	192.12682	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe