CID 6488578

38002-95-8

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC(=C)COC1=CC=CC(=C1)C=O

InChI

InChI=1S/C11H12O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-7H,1,8H2,2H3

InChIKey

HKEUNLNJRSTCMJ-UHFFFAOYSA-N

Compound name

3-(2-methylprop-2-enoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 176.08372 Da
Monoisotopic Mass: 2.6
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]+	177.09100	136.2
[M+Na]+	199.07294	144.1
[M-H]-	175.07644	140.0
[M+NH4]+	194.11754	156.6
[M+K]+	215.04688	142.1
[M+H-H2O]+	159.08098	130.6
[M+HCOO]-	221.08192	160.1
[M+CH3COO]-	235.09757	181.6
[M+Na-2H]-	197.05839	141.6
[M]+	176.08317	138.2
[M]-	176.08427	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe