CID 43143358

4-[(pyridin-3-yl)methoxy]phenol

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC(=CN=C1)COC2=CC=C(C=C2)O
InChI
InChI=1S/C12H11NO2/c14-11-3-5-12(6-4-11)15-9-10-2-1-7-13-8-10/h1-8,14H,9H2
InChIKey
OVPLGULDVNFMPS-UHFFFAOYSA-N
Compound name
4-(pyridin-3-ylmethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.9
[M+Na]+ 224.06820 149.8
[M-H]- 200.07170 146.0
[M+NH4]+ 219.11280 158.8
[M+K]+ 240.04214 146.4
[M+H-H2O]+ 184.07624 134.1
[M+HCOO]- 246.07718 164.6
[M+CH3COO]- 260.09283 181.3
[M+Na-2H]- 222.05365 150.0
[M]+ 201.07843 142.1
[M]- 201.07953 142.1
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.