CID 12607974

3-amino-n-ethyl-4-methylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCNC(=O)C1=CC(=C(C=C1)C)N

InChI

InChI=1S/C10H14N2O/c1-3-12-10(13)8-5-4-7(2)9(11)6-8/h4-6H,3,11H2,1-2H3,(H,12,13)

InChIKey

XPBQHLXMYVRYSO-UHFFFAOYSA-N

Compound name

3-amino-N-ethyl-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 178.11061 Da
Monoisotopic Mass: 0.5
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]+	179.117886	139.4
[M+Na]+	201.099828	146.6
[M-H]-	177.103334	143.0
[M+NH4]+	196.144433	159.1
[M+K]+	217.073768	144.4
[M+H-H2O]+	161.107870	133.3
[M+HCOO]-	223.108811	164.4
[M+CH3COO]-	237.124461	187.1
[M+Na-2H]-	199.085276	143.8
[M]+	178.11006142	137.9
[M]-	178.11115858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe