CID 202433

10404-34-9

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CN(C)CCCC(C#N)C1=CC=CC=C1

InChI

InChI=1S/C13H18N2/c1-15(2)10-6-9-13(11-14)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3

InChIKey

NXHIHKLMPBXJOK-UHFFFAOYSA-N

Compound name

5-(dimethylamino)-2-phenylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 202.147 Da
Monoisotopic Mass: 2.4
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]+	203.15428	149.9
[M+Na]+	225.13622	156.9
[M-H]-	201.13972	153.6
[M+NH4]+	220.18082	167.2
[M+K]+	241.11016	154.5
[M+H-H2O]+	185.14426	136.5
[M+HCOO]-	247.14520	169.9
[M+CH3COO]-	261.16085	204.9
[M+Na-2H]-	223.12167	153.8
[M]+	202.14645	145.8
[M]-	202.14755	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe