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

48
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 127.3
[M+Na]+ 160.07328 140.4
[M+NH4]+ 155.11788 135.6
[M+K]+ 176.04722 134.4
[M-H]- 136.07678 128.5
[M+Na-2H]- 158.05873 134.2
[M]+ 137.08351 129.4
[M]- 137.08461 129.4
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