CID 99004

Dtxsid701284951

Structural Information

Molecular Formula
C13H13NO2
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=N2)O
InChI
InChI=1S/C13H13NO2/c1-16-11-7-5-10(6-8-11)13(15)12-4-2-3-9-14-12/h2-9,13,15H,1H3
InChIKey
OQFKODRWEHYZQP-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-pyridin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

215.09464 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe