CID 141062

3-allylsalicylaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C=CCC1=C(C(=CC=C1)C=O)O

InChI

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

InChIKey

INLWEXRRMUMHKB-UHFFFAOYSA-N

Compound name

2-hydroxy-3-prop-2-enylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 245
Patents: 162.06808 Da
Monoisotopic Mass: 2.7
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]+	163.075356	131.4
[M+Na]+	185.057298	140.4
[M-H]-	161.060804	134.2
[M+NH4]+	180.101903	151.9
[M+K]+	201.031238	137.3
[M+H-H2O]+	145.065340	126.3
[M+HCOO]-	207.066281	155.0
[M+CH3COO]-	221.081931	176.2
[M+Na-2H]-	183.042746	137.3
[M]+	162.06753142	132.1
[M]-	162.06862858	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe