CID 84653347

(3,5-dimethoxypyridin-4-yl)methanol

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC1=CN=CC(=C1CO)OC
InChI
InChI=1S/C8H11NO3/c1-11-7-3-9-4-8(12-2)6(7)5-10/h3-4,10H,5H2,1-2H3
InChIKey
JLPMSDXGRPROLZ-UHFFFAOYSA-N
Compound name
(3,5-dimethoxy-4-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

169.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 132.9
[M+Na]+ 192.063118 142.1
[M-H]- 168.066624 134.4
[M+NH4]+ 187.107723 151.8
[M+K]+ 208.037058 141.0
[M+H-H2O]+ 152.071160 126.7
[M+HCOO]- 214.072101 155.7
[M+CH3COO]- 228.087751 176.7
[M+Na-2H]- 190.048566 139.8
[M]+ 169.07335142 136.2
[M]- 169.07444858 136.2
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

patents stripe