CID 44611571

Resorcinol compound 10

Structural Information

Molecular Formula
C13H13NO3
SMILES
COC1=C(C=CC=N1)CC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C13H13NO3/c1-17-13-10(3-2-6-14-13)7-9-4-5-11(15)8-12(9)16/h2-6,8,15-16H,7H2,1H3
InChIKey
DRCOSVLHATXBGT-UHFFFAOYSA-N
Compound name
4-[(2-methoxypyridin-3-yl)methyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

231.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 150.0
[M+Na]+ 254.07876 158.8
[M-H]- 230.08226 153.4
[M+NH4]+ 249.12336 165.5
[M+K]+ 270.05270 154.9
[M+H-H2O]+ 214.08680 142.5
[M+HCOO]- 276.08774 171.0
[M+CH3COO]- 290.10339 186.2
[M+Na-2H]- 252.06421 155.6
[M]+ 231.08899 151.0
[M]- 231.09009 151.0
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