CID 81239624

[4-(propan-2-yloxy)pyridin-3-yl]methanol

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC(C)OC1=C(C=NC=C1)CO
InChI
InChI=1S/C9H13NO2/c1-7(2)12-9-3-4-10-5-8(9)6-11/h3-5,7,11H,6H2,1-2H3
InChIKey
WKUDMEBTJFWNOZ-UHFFFAOYSA-N
Compound name
(4-propan-2-yloxy-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

167.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 135.2
[M+Na]+ 190.083858 142.9
[M-H]- 166.087364 136.3
[M+NH4]+ 185.128463 154.0
[M+K]+ 206.057798 141.5
[M+H-H2O]+ 150.091900 129.0
[M+HCOO]- 212.092841 156.5
[M+CH3COO]- 226.108491 177.3
[M+Na-2H]- 188.069306 141.1
[M]+ 167.09409142 136.4
[M]- 167.09518858 136.4
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