CID 14955529

2-(cyclopropylmethoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CC1COC2=CC=CC=C2C=O

InChI

InChI=1S/C11H12O2/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,7,9H,5-6,8H2

InChIKey

YPXZBUQPDJHULR-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 176.08372 Da
Monoisotopic Mass: 2.4
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	139.0
[M+Na]+	199.07294	153.6
[M+NH4]+	194.11754	148.5
[M+K]+	215.04688	147.7
[M-H]-	175.07644	149.3
[M+Na-2H]-	197.05839	149.5
[M]+	176.08317	145.1
[M]-	176.08427	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe