CID 42553137

885278-12-6

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCCOC1=C(C=CC=N1)C=O

InChI

InChI=1S/C9H11NO2/c1-2-6-12-9-8(7-11)4-3-5-10-9/h3-5,7H,2,6H2,1H3

InChIKey

CBTKKULPWZVYOL-UHFFFAOYSA-N

Compound name

2-propoxypyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 165.07898 Da
Monoisotopic Mass: 1.5
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]+	166.086256	132.8
[M+Na]+	188.068198	141.4
[M-H]-	164.071704	135.2
[M+NH4]+	183.112803	152.3
[M+K]+	204.042138	139.9
[M+H-H2O]+	148.076240	126.2
[M+HCOO]-	210.077181	156.8
[M+CH3COO]-	224.092831	178.2
[M+Na-2H]-	186.053646	140.5
[M]+	165.07843142	135.8
[M]-	165.07952858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe