CID 12727034

(3-methoxyphenyl)(pyridin-4-yl)methanol

Structural Information

Molecular Formula
C13H13NO2
SMILES
COC1=CC=CC(=C1)C(C2=CC=NC=C2)O
InChI
InChI=1S/C13H13NO2/c1-16-12-4-2-3-11(9-12)13(15)10-5-7-14-8-6-10/h2-9,13,15H,1H3
InChIKey
NQSVTSGCCQLKHQ-UHFFFAOYSA-N
Compound name
(3-methoxyphenyl)-pyridin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.7
[M+Na]+ 238.08386 153.9
[M-H]- 214.08736 150.8
[M+NH4]+ 233.12846 162.9
[M+K]+ 254.05780 150.7
[M+H-H2O]+ 198.09190 138.9
[M+HCOO]- 260.09284 168.1
[M+CH3COO]- 274.10849 185.1
[M+Na-2H]- 236.06931 153.0
[M]+ 215.09409 146.7
[M]- 215.09519 146.7
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