CID 207705

30533-84-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CN(C)C(=O)C1=C(C=CC(=C1)N)OCC#C

InChI

InChI=1S/C12H14N2O2/c1-4-7-16-11-6-5-9(13)8-10(11)12(15)14(2)3/h1,5-6,8H,7,13H2,2-3H3

InChIKey

NUOIQFHCMUFAHH-UHFFFAOYSA-N

Compound name

5-amino-N,N-dimethyl-2-prop-2-ynoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.10553 Da
Monoisotopic Mass: 0.8
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]+	219.112806	152.2
[M+Na]+	241.094748	161.0
[M-H]-	217.098254	155.1
[M+NH4]+	236.139353	168.4
[M+K]+	257.068688	158.6
[M+H-H2O]+	201.102790	139.4
[M+HCOO]-	263.103731	171.2
[M+CH3COO]-	277.119381	203.5
[M+Na-2H]-	239.080196	153.7
[M]+	218.10498142	147.6
[M]-	218.10607858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.