CID 60670140

713-88-2

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CN(CC#C)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C12H15NO/c1-4-9-13(2)10-11-5-7-12(14-3)8-6-11/h1,5-8H,9-10H2,2-3H3

InChIKey

RXBHBEQTQDMBRF-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-N-methylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 189.11537 Da
Monoisotopic Mass: 1.8
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]+	190.12265	143.1
[M+Na]+	212.10459	155.1
[M+NH4]+	207.14919	148.2
[M+K]+	228.07853	145.3
[M-H]-	188.10809	138.1
[M+Na-2H]-	210.09004	147.2
[M]+	189.11482	142.6
[M]-	189.11592	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe