CID 1054

Pyridoxine

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1=NC=C(C(=C1O)CO)CO
InChI
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKey
LXNHXLLTXMVWPM-UHFFFAOYSA-N
Compound name
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

9048
References

102974
Patents

169.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.3
[M+Na]+ 192.06312 143.6
[M-H]- 168.06662 133.4
[M+NH4]+ 187.10772 152.1
[M+K]+ 208.03706 140.7
[M+H-H2O]+ 152.07116 128.9
[M+HCOO]- 214.07210 154.0
[M+CH3COO]- 228.08775 172.9
[M+Na-2H]- 190.04857 139.4
[M]+ 169.07335 134.2
[M]- 169.07445 134.2
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.