CID 46833654

3-isopropyl-5-methoxybenzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC(C)C1=CC(=CC(=C1)C=O)OC

InChI

InChI=1S/C11H14O2/c1-8(2)10-4-9(7-12)5-11(6-10)13-3/h4-8H,1-3H3

InChIKey

FPKCDUPSQSFULJ-UHFFFAOYSA-N

Compound name

3-methoxy-5-propan-2-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 178.09938 Da
Monoisotopic Mass: 2.5
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]+	179.10666	138.0
[M+Na]+	201.08860	151.2
[M+NH4]+	196.13320	146.5
[M+K]+	217.06254	144.8
[M-H]-	177.09210	140.1
[M+Na-2H]-	199.07405	144.6
[M]+	178.09883	140.5
[M]-	178.09993	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe