CID 22091871

3-(methylamino)-3-phenylpropanenitrile

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CNC(CC#N)C1=CC=CC=C1

InChI

InChI=1S/C10H12N2/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3

InChIKey

NDWVJABPAIKYCI-UHFFFAOYSA-N

Compound name

3-(methylamino)-3-phenylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.10005 Da
Monoisotopic Mass: 1.0
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]+	161.10733	139.2
[M+Na]+	183.08927	150.5
[M+NH4]+	178.13387	144.6
[M+K]+	199.06321	140.6
[M-H]-	159.09277	134.9
[M+Na-2H]-	181.07472	143.9
[M]+	160.09950	138.7
[M]-	160.10060	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe