CID 207696

30533-74-5

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C11H12N2O2/c1-3-6-15-10-5-4-8(12)7-9(10)11(14)13-2/h1,4-5,7H,6,12H2,2H3,(H,13,14)

InChIKey

OTQKJRWGUZUOHM-UHFFFAOYSA-N

Compound name

5-amino-N-methyl-2-prop-2-ynoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 0.6
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]+	205.097146	148.4
[M+Na]+	227.079088	157.4
[M-H]-	203.082594	150.1
[M+NH4]+	222.123693	164.5
[M+K]+	243.053028	154.1
[M+H-H2O]+	187.087130	136.0
[M+HCOO]-	249.088071	167.2
[M+CH3COO]-	263.103721	197.8
[M+Na-2H]-	225.064536	151.0
[M]+	204.08932142	142.4
[M]-	204.09041858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.