CID 11008055

21744-88-7

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C1CC1(C=O)C2=CC=CC=C2

InChI

InChI=1S/C10H10O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey

SMYKJEFTTNCUSN-UHFFFAOYSA-N

Compound name

1-phenylcyclopropane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 146.07317 Da
Monoisotopic Mass: 1.7
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]+	147.08045	129.5
[M+Na]+	169.06239	139.4
[M-H]-	145.06589	137.6
[M+NH4]+	164.10699	147.8
[M+K]+	185.03633	137.7
[M+H-H2O]+	129.07043	124.0
[M+HCOO]-	191.07137	154.4
[M+CH3COO]-	205.08702	177.3
[M+Na-2H]-	167.04784	138.7
[M]+	146.07262	132.0
[M]-	146.07372	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe