CID 2775156

2-allyl-3-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C=CCC1=C(C=CC=C1O)C=O

InChI

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

InChIKey

QVHRAGBOMUXWRI-UHFFFAOYSA-N

Compound name

3-hydroxy-2-prop-2-enylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
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	131.4
[M+Na]+	185.05730	140.4
[M-H]-	161.06080	134.2
[M+NH4]+	180.10190	151.9
[M+K]+	201.03124	137.3
[M+H-H2O]+	145.06534	126.3
[M+HCOO]-	207.06628	155.0
[M+CH3COO]-	221.08193	176.2
[M+Na-2H]-	183.04275	137.3
[M]+	162.06753	132.1
[M]-	162.06863	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe