CID 2562100

1158194-77-4

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC(C)(C)NCC1=CC=C(C=C1)OCC=C

InChI

InChI=1S/C14H21NO/c1-5-10-16-13-8-6-12(7-9-13)11-15-14(2,3)4/h5-9,15H,1,10-11H2,2-4H3

InChIKey

XQXWCCWVAVPCPP-UHFFFAOYSA-N

Compound name

2-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 219.16231 Da
Monoisotopic Mass: 2.9
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]+	220.169586	152.9
[M+Na]+	242.151528	159.1
[M-H]-	218.155034	156.3
[M+NH4]+	237.196133	171.6
[M+K]+	258.125468	156.3
[M+H-H2O]+	202.159570	146.8
[M+HCOO]-	264.160511	175.8
[M+CH3COO]-	278.176161	193.2
[M+Na-2H]-	240.136976	158.7
[M]+	219.16176142	154.5
[M]-	219.16285858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.