CID 42553129

2-(cyclopropylmethoxy)nicotinaldehyde

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC1COC2=C(C=CC=N2)C=O

InChI

InChI=1S/C10H11NO2/c12-6-9-2-1-5-11-10(9)13-7-8-3-4-8/h1-2,5-6,8H,3-4,7H2

InChIKey

AEOXNPSSZSDLDK-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethoxy)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 177.07898 Da
Monoisotopic Mass: 1.4
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]+	178.08626	139.8
[M+Na]+	200.06820	149.8
[M-H]-	176.07170	146.1
[M+NH4]+	195.11280	153.9
[M+K]+	216.04214	146.8
[M+H-H2O]+	160.07624	132.2
[M+HCOO]-	222.07718	163.8
[M+CH3COO]-	236.09283	183.1
[M+Na-2H]-	198.05365	146.9
[M]+	177.07843	144.0
[M]-	177.07953	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe