CID 70288

1-phenylcyclopropanecarbonitrile

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

C1CC1(C#N)C2=CC=CC=C2

InChI

InChI=1S/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2

InChIKey

ZHFURHRJUWYDKG-UHFFFAOYSA-N

Compound name

1-phenylcyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 490
Patents: 143.0735 Da
Monoisotopic Mass: 1.9
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]+	144.08078	134.0
[M+Na]+	166.06272	148.3
[M+NH4]+	161.10732	142.2
[M+K]+	182.03666	137.8
[M-H]-	142.06622	137.4
[M+Na-2H]-	164.04817	143.9
[M]+	143.07295	137.5
[M]-	143.07405	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe