CID 72221874

3-(propan-2-yl)pyridin-4-ol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(C)C1=CNC=CC1=O
InChI
InChI=1S/C8H11NO/c1-6(2)7-5-9-4-3-8(7)10/h3-6H,1-2H3,(H,9,10)
InChIKey
COXRUNMERNYQGB-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

137.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.3
[M+Na]+ 160.07328 134.8
[M-H]- 136.07678 127.7
[M+NH4]+ 155.11788 146.4
[M+K]+ 176.04722 132.5
[M+H-H2O]+ 120.08132 120.7
[M+HCOO]- 182.08226 147.9
[M+CH3COO]- 196.09791 171.4
[M+Na-2H]- 158.05873 132.8
[M]+ 137.08351 125.0
[M]- 137.08461 125.0
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