CID 12607983

3-amino-n,n,4-trimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC1=C(C=C(C=C1)C(=O)N(C)C)N

InChI

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

InChIKey

SPENLBANQJYBEA-UHFFFAOYSA-N

Compound name

3-amino-N,N,4-trimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 178.11061 Da
Monoisotopic Mass: 0.3
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	139.2
[M+Na]+	201.099828	146.6
[M-H]-	177.103334	144.3
[M+NH4]+	196.144433	159.6
[M+K]+	217.073768	145.9
[M+H-H2O]+	161.107870	132.9
[M+HCOO]-	223.108811	164.8
[M+CH3COO]-	237.124461	190.6
[M+Na-2H]-	199.085276	142.9
[M]+	178.11006142	139.0
[M]-	178.11115858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe