CID 21740253

(benzyloxy)(prop-2-yn-1-yl)amine

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C#CCNOCC1=CC=CC=C1

InChI

InChI=1S/C10H11NO/c1-2-8-11-12-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2

InChIKey

RMPMXTWHZGCBLK-UHFFFAOYSA-N

Compound name

N-phenylmethoxyprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.08406 Da
Monoisotopic Mass: 1.5
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]+	162.09134	135.2
[M+Na]+	184.07328	144.2
[M-H]-	160.07678	137.0
[M+NH4]+	179.11788	153.3
[M+K]+	200.04722	140.4
[M+H-H2O]+	144.08132	123.2
[M+HCOO]-	206.08226	154.8
[M+CH3COO]-	220.09791	187.9
[M+Na-2H]-	182.05873	142.0
[M]+	161.08351	130.1
[M]-	161.08461	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe