CID 71423039

4-cyclopropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC1OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C10H10O2/c11-7-8-1-3-9(4-2-8)12-10-5-6-10/h1-4,7,10H,5-6H2

InChIKey

YQJGBZSDKXLBIA-UHFFFAOYSA-N

Compound name

4-cyclopropyloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 162.06808 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]+	163.075356	131.7
[M+Na]+	185.057298	141.7
[M-H]-	161.060804	139.6
[M+NH4]+	180.101903	147.7
[M+K]+	201.031238	139.3
[M+H-H2O]+	145.065340	125.2
[M+HCOO]-	207.066281	157.0
[M+CH3COO]-	221.081931	180.6
[M+Na-2H]-	183.042746	139.2
[M]+	162.06753142	135.5
[M]-	162.06862858	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe