CID 121734

4(1h)-pyridinone, 3-hydroxy-2-methyl-1-pentyl-

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCCCCN1C=CC(=O)C(=C1C)O
InChI
InChI=1S/C11H17NO2/c1-3-4-5-7-12-8-6-10(13)11(14)9(12)2/h6,8,14H,3-5,7H2,1-2H3
InChIKey
CDKSMVGMMHOIEM-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methyl-1-pentylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

195.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 142.3
[M+Na]+ 218.115148 151.5
[M-H]- 194.118654 143.7
[M+NH4]+ 213.159753 160.6
[M+K]+ 234.089088 148.6
[M+H-H2O]+ 178.123190 136.1
[M+HCOO]- 240.124131 164.0
[M+CH3COO]- 254.139781 184.1
[M+Na-2H]- 216.100596 146.9
[M]+ 195.12538142 144.9
[M]- 195.12647858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe