CID 23093914

754218-88-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

167.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.2
[M+Na]+ 190.08386 142.9
[M-H]- 166.08736 136.3
[M+NH4]+ 185.12846 154.0
[M+K]+ 206.05780 141.5
[M+H-H2O]+ 150.09190 129.0
[M+HCOO]- 212.09284 156.5
[M+CH3COO]- 226.10849 177.3
[M+Na-2H]- 188.06931 141.1
[M]+ 167.09409 136.4
[M]- 167.09519 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