CID 23435467

2-ethoxypyrimidine-5-carbaldehyde

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CCOC1=NC=C(C=N1)C=O

InChI

InChI=1S/C7H8N2O2/c1-2-11-7-8-3-6(5-10)4-9-7/h3-5H,2H2,1H3

InChIKey

NBVADWRNQAZAOK-UHFFFAOYSA-N

Compound name

2-ethoxypyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 152.05858 Da
Monoisotopic Mass: 0.3
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]+	153.06586	129.6
[M+Na]+	175.04780	143.0
[M+NH4]+	170.09240	137.1
[M+K]+	191.02174	137.0
[M-H]-	151.05130	130.1
[M+Na-2H]-	173.03325	136.7
[M]+	152.05803	131.5
[M]-	152.05913	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe