CID 10725488

3-cyclopropylbenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C1CC1C2=CC=CC(=C2)C=O

InChI

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

InChIKey

COHGKAMBYJGYOZ-UHFFFAOYSA-N

Compound name

3-cyclopropylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 146.07317 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]+	147.08045	131.4
[M+Na]+	169.06239	146.6
[M+NH4]+	164.10699	141.6
[M+K]+	185.03633	140.6
[M-H]-	145.06589	142.2
[M+Na-2H]-	167.04784	142.7
[M]+	146.07262	137.8
[M]-	146.07372	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe