CID 543241

4-(cyclopropylmethoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CC1COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C11H12O2/c12-7-9-3-5-11(6-4-9)13-8-10-1-2-10/h3-7,10H,1-2,8H2

InChIKey

PVQVSKYXCMWDFN-UHFFFAOYSA-N

Compound name

4-(cyclopropylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 176.08372 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]+	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