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]+	220.16959	153.5
[M+Na]+	242.15153	164.9
[M+NH4]+	237.19613	161.4
[M+K]+	258.12547	157.9
[M-H]-	218.15503	155.7
[M+Na-2H]-	240.13698	159.8
[M]+	219.16176	155.8
[M]-	219.16286	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.