CID 72833020

2268032-41-1

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC(=C)CC(C1=CC=CC=C1)N

InChI

InChI=1S/C11H15N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,11H,1,8,12H2,2H3

InChIKey

HFBGVXDFFSUEEI-UHFFFAOYSA-N

Compound name

3-methyl-1-phenylbut-3-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.12045 Da
Monoisotopic Mass: 2.5
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]+	162.12773	137.4
[M+Na]+	184.10967	142.9
[M-H]-	160.11317	140.2
[M+NH4]+	179.15427	157.5
[M+K]+	200.08361	140.5
[M+H-H2O]+	144.11771	131.5
[M+HCOO]-	206.11865	159.9
[M+CH3COO]-	220.13430	182.4
[M+Na-2H]-	182.09512	141.3
[M]+	161.11990	134.3
[M]-	161.12100	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe