CID 14839225

5-amino-n,n,2-trimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

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

InChIKey

BPHNFFPYLDLPIC-UHFFFAOYSA-N

Compound name

5-amino-N,N,2-trimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 178.11061 Da
Monoisotopic Mass: 1.1
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]+	179.11789	139.2
[M+Na]+	201.09983	146.6
[M-H]-	177.10333	144.3
[M+NH4]+	196.14443	159.6
[M+K]+	217.07377	145.9
[M+H-H2O]+	161.10787	132.9
[M+HCOO]-	223.10881	164.8
[M+CH3COO]-	237.12446	190.6
[M+Na-2H]-	199.08528	142.9
[M]+	178.11006	139.0
[M]-	178.11116	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe