CID 71757154

5-ethoxypyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H9NO2
SMILES
CCOC1=CN=C(C=C1)C=O
InChI
InChI=1S/C8H9NO2/c1-2-11-8-4-3-7(6-10)9-5-8/h3-6H,2H2,1H3
InChIKey
KTZZOUDDELTUFZ-UHFFFAOYSA-N
Compound name
5-ethoxypyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.1
[M+Na]+ 174.05254 137.2
[M-H]- 150.05604 130.7
[M+NH4]+ 169.09714 148.2
[M+K]+ 190.02648 135.9
[M+H-H2O]+ 134.06058 121.8
[M+HCOO]- 196.06152 152.4
[M+CH3COO]- 210.07717 175.2
[M+Na-2H]- 172.03799 136.3
[M]+ 151.06277 130.8
[M]- 151.06387 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe