CID 3019912

Osyxkquunlqjrr-uhfffaoysa-n

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCCCCC(=NO)C1=C(C=C(C=C1)C)O
InChI
InChI=1S/C15H23NO2/c1-3-4-5-6-7-8-14(16-18)13-10-9-12(2)11-15(13)17/h9-11,17-18H,3-8H2,1-2H3
InChIKey
OSYXKQUUNLQJRR-UHFFFAOYSA-N
Compound name
2-(C-heptyl-N-hydroxycarbonimidoyl)-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 161.2
[M+Na]+ 272.162098 166.6
[M-H]- 248.165604 163.0
[M+NH4]+ 267.206703 177.9
[M+K]+ 288.136038 163.3
[M+H-H2O]+ 232.170140 154.5
[M+HCOO]- 294.171081 182.9
[M+CH3COO]- 308.186731 197.4
[M+Na-2H]- 270.147546 163.3
[M]+ 249.17233142 162.8
[M]- 249.17342858 162.8
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

No patent data available for this compound.