CID 4729014

3-allyl-4-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

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

InChIKey

HDZJQLIQQWIJBW-UHFFFAOYSA-N

Compound name

4-hydroxy-3-prop-2-enylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 197
Patents: 162.06808 Da
Monoisotopic Mass: 2.1
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]+	163.07536	133.3
[M+Na]+	185.05730	146.5
[M+NH4]+	180.10190	141.4
[M+K]+	201.03124	139.7
[M-H]-	161.06080	134.8
[M+Na-2H]-	183.04275	139.7
[M]+	162.06753	135.5
[M]-	162.06863	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe