CID 207697

30533-75-6

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

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

InChI

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

InChIKey

RFZMMEWEHGFGFB-UHFFFAOYSA-N

Compound name

5-amino-N-ethyl-2-prop-2-ynoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.10553 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]+	219.112806	152.3
[M+Na]+	241.094748	160.9
[M-H]-	217.098254	153.9
[M+NH4]+	236.139353	168.0
[M+K]+	257.068688	157.4
[M+H-H2O]+	201.102790	139.7
[M+HCOO]-	263.103731	170.8
[M+CH3COO]-	277.119381	200.5
[M+Na-2H]-	239.080196	154.5
[M]+	218.10498142	146.6
[M]-	218.10607858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.