CID 71361626

4,5-bis(hydroxymethyl)-6-methoxy-2-methylpyridin-3-ol

Structural Information

Molecular Formula
C9H13NO4
SMILES
CC1=C(C(=C(C(=N1)OC)CO)CO)O
InChI
InChI=1S/C9H13NO4/c1-5-8(13)6(3-11)7(4-12)9(10-5)14-2/h11-13H,3-4H2,1-2H3
InChIKey
VPNSNAIMMBVRBG-UHFFFAOYSA-N
Compound name
4,5-bis(hydroxymethyl)-6-methoxy-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08446 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 141.3
[M+Na]+ 222.07368 150.9
[M-H]- 198.07718 140.6
[M+NH4]+ 217.11828 158.1
[M+K]+ 238.04762 148.4
[M+H-H2O]+ 182.08172 135.7
[M+HCOO]- 244.08266 160.8
[M+CH3COO]- 258.09831 179.4
[M+Na-2H]- 220.05913 145.2
[M]+ 199.08391 143.5
[M]- 199.08501 143.5
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.