CID 10725809

72830-08-1

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC1=C(C(=NC=C1)CO)OC
InChI
InChI=1S/C8H11NO3/c1-11-7-3-4-9-6(5-10)8(7)12-2/h3-4,10H,5H2,1-2H3
InChIKey
BKTHTLOKUUJKDF-UHFFFAOYSA-N
Compound name
(3,4-dimethoxy-2-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
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

literature stripe

Patent stripe

patents stripe