CID 93716

57564-18-8

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCCCCN1C(=O)C=C(C(=C1O)C#N)C
InChI
InChI=1S/C13H18N2O2/c1-3-4-5-6-7-15-12(16)8-10(2)11(9-14)13(15)17/h8,17H,3-7H2,1-2H3
InChIKey
QOXKXTPIAKYMKB-UHFFFAOYSA-N
Compound name
1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

234.13683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 150.3
[M+Na]+ 257.126048 160.9
[M-H]- 233.129554 151.4
[M+NH4]+ 252.170653 165.3
[M+K]+ 273.099988 157.3
[M+H-H2O]+ 217.134090 137.4
[M+HCOO]- 279.135031 168.0
[M+CH3COO]- 293.150681 203.7
[M+Na-2H]- 255.111496 153.1
[M]+ 234.13628142 148.5
[M]- 234.13737858 148.5
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