CID 6387604

60960-88-5

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CNC/C=C/C1=CC=CC=C1

InChI

InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+

InChIKey

RHPMSSCVPPONDM-VMPITWQZSA-N

Compound name

(E)-N-methyl-3-phenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 100
Patents: 147.1048 Da
Monoisotopic Mass: 2.2
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]+	148.11208	131.3
[M+Na]+	170.09402	137.8
[M-H]-	146.09752	134.6
[M+NH4]+	165.13862	152.4
[M+K]+	186.06796	135.0
[M+H-H2O]+	130.10206	125.4
[M+HCOO]-	192.10300	156.8
[M+CH3COO]-	206.11865	177.7
[M+Na-2H]-	168.07947	139.4
[M]+	147.10425	130.0
[M]-	147.10535	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe