CID 20026192

124276-71-7

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC1=CC(=CC=C1)C2(CC2)C#N

InChI

InChI=1S/C11H11N/c1-9-3-2-4-10(7-9)11(8-12)5-6-11/h2-4,7H,5-6H2,1H3

InChIKey

AFELCFFDKRTCHL-UHFFFAOYSA-N

Compound name

1-(3-methylphenyl)cyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 157.08914 Da
Monoisotopic Mass: 2.3
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]+	158.09642	131.6
[M+Na]+	180.07836	148.3
[M-H]-	156.08186	140.8
[M+NH4]+	175.12296	149.9
[M+K]+	196.05230	141.5
[M+H-H2O]+	140.08640	122.7
[M+HCOO]-	202.08734	154.1
[M+CH3COO]-	216.10299	193.3
[M+Na-2H]-	178.06381	140.9
[M]+	157.08859	130.9
[M]-	157.08969	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe