CID 72221874

1243373-60-5

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

193
Patents

137.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.3
[M+Na]+ 160.073278 134.8
[M-H]- 136.076784 127.7
[M+NH4]+ 155.117883 146.4
[M+K]+ 176.047218 132.5
[M+H-H2O]+ 120.081320 120.7
[M+HCOO]- 182.082261 147.9
[M+CH3COO]- 196.097911 171.4
[M+Na-2H]- 158.058726 132.8
[M]+ 137.08351142 125.0
[M]- 137.08460858 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