CID 164889

5-deoxypyridoxal

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CN=C(C(=C1C=O)O)C
InChI
InChI=1S/C8H9NO2/c1-5-3-9-6(2)8(11)7(5)4-10/h3-4,11H,1-2H3
InChIKey
SOYIPVHKLPDELX-UHFFFAOYSA-N
Compound name
3-hydroxy-2,5-dimethylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

70
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.9
[M+Na]+ 174.05254 138.4
[M-H]- 150.05604 129.9
[M+NH4]+ 169.09714 147.9
[M+K]+ 190.02648 136.3
[M+H-H2O]+ 134.06058 122.4
[M+HCOO]- 196.06152 150.7
[M+CH3COO]- 210.07717 174.9
[M+Na-2H]- 172.03799 134.2
[M]+ 151.06277 129.5
[M]- 151.06387 129.5
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