CID 6094

4-deoxypyridoxine

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1=C(C(=NC=C1CO)C)O
InChI
InChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3
InChIKey
KKOWAYISKWGDBG-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

79
References

1092
Patents

153.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 130.4
[M+Na]+ 176.06820 140.2
[M-H]- 152.07170 131.0
[M+NH4]+ 171.11280 149.7
[M+K]+ 192.04214 137.7
[M+H-H2O]+ 136.07624 125.1
[M+HCOO]- 198.07718 151.4
[M+CH3COO]- 212.09283 173.2
[M+Na-2H]- 174.05365 136.1
[M]+ 153.07843 130.8
[M]- 153.07953 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.