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-dimethoxypyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

169.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 132.9
[M+Na]+ 192.06312 142.1
[M-H]- 168.06662 134.4
[M+NH4]+ 187.10772 151.8
[M+K]+ 208.03706 141.0
[M+H-H2O]+ 152.07116 126.7
[M+HCOO]- 214.07210 155.7
[M+CH3COO]- 228.08775 176.7
[M+Na-2H]- 190.04857 139.8
[M]+ 169.07335 136.2
[M]- 169.07445 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

No patent data available for this compound.