CID 2797591

2-methyl-2-phenylpropanenitrile

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

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

InChI

InChI=1S/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey

PGQTYXFMSZUGOW-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 722
Patents: 145.08914 Da
Monoisotopic Mass: 2.5
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]+	146.09642	134.9
[M+Na]+	168.07836	144.6
[M-H]-	144.08186	138.3
[M+NH4]+	163.12296	154.3
[M+K]+	184.05230	141.6
[M+H-H2O]+	128.08640	123.3
[M+HCOO]-	190.08734	154.1
[M+CH3COO]-	204.10299	188.8
[M+Na-2H]-	166.06381	142.3
[M]+	145.08859	129.7
[M]-	145.08969	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe