CID 101335

2-(allyloxy)benzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C=CCOC1=CC=CC=C1C=O

InChI

InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2

InChIKey

BXCJDECTRRMSCV-UHFFFAOYSA-N

Compound name

2-prop-2-enoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 559
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	131.3
[M+Na]+	185.057298	139.9
[M-H]-	161.060804	135.2
[M+NH4]+	180.101903	152.3
[M+K]+	201.031238	137.6
[M+H-H2O]+	145.065340	125.8
[M+HCOO]-	207.066281	156.5
[M+CH3COO]-	221.081931	177.8
[M+Na-2H]-	183.042746	138.5
[M]+	162.06753142	133.5
[M]-	162.06862858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe