CID 314742

(2,3-dimethoxyphenyl)(4-pyridinyl)methanol

Structural Information

Molecular Formula
C14H15NO3
SMILES
COC1=CC=CC(=C1OC)C(C2=CC=NC=C2)O
InChI
InChI=1S/C14H15NO3/c1-17-12-5-3-4-11(14(12)18-2)13(16)10-6-8-15-9-7-10/h3-9,13,16H,1-2H3
InChIKey
IRFMPRSXHIYMRM-UHFFFAOYSA-N
Compound name
(2,3-dimethoxyphenyl)-pyridin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

245.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.112476 154.3
[M+Na]+ 268.094418 161.8
[M-H]- 244.097924 158.6
[M+NH4]+ 263.139023 169.5
[M+K]+ 284.068358 159.1
[M+H-H2O]+ 228.102460 146.2
[M+HCOO]- 290.103401 175.5
[M+CH3COO]- 304.119051 191.4
[M+Na-2H]- 266.079866 159.3
[M]+ 245.10465142 156.4
[M]- 245.10574858 156.4
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