CID 3016659

51418-88-3

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCCCC(CC)CN1C(=O)C=C(C(=C1O)C#N)C
InChI
InChI=1S/C15H22N2O2/c1-4-6-7-12(5-2)10-17-14(18)8-11(3)13(9-16)15(17)19/h8,12,19H,4-7,10H2,1-3H3
InChIKey
UAMYHHUQNNATDH-UHFFFAOYSA-N
Compound name
1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

441
Patents

262.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 159.1
[M+Na]+ 285.157338 168.7
[M-H]- 261.160844 160.0
[M+NH4]+ 280.201943 173.1
[M+K]+ 301.131278 165.2
[M+H-H2O]+ 245.165380 146.0
[M+HCOO]- 307.166321 175.3
[M+CH3COO]- 321.181971 209.8
[M+Na-2H]- 283.142786 159.8
[M]+ 262.16757142 157.4
[M]- 262.16866858 157.4
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