CID 4717877

69957-80-8

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C=CCNCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H12ClN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2

InChIKey

MXLWFBBJEPONGS-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]prop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 181.06583 Da
Monoisotopic Mass: 2.6
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]+	182.07311	137.8
[M+Na]+	204.05505	146.0
[M-H]-	180.05855	141.2
[M+NH4]+	199.09965	158.6
[M+K]+	220.02899	141.1
[M+H-H2O]+	164.06309	132.8
[M+HCOO]-	226.06403	158.6
[M+CH3COO]-	240.07968	183.3
[M+Na-2H]-	202.04050	144.6
[M]+	181.06528	139.0
[M]-	181.06638	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe