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]+ 250.18016 161.2
[M+Na]+ 272.16210 166.6
[M-H]- 248.16560 163.0
[M+NH4]+ 267.20670 177.9
[M+K]+ 288.13604 163.3
[M+H-H2O]+ 232.17014 154.5
[M+HCOO]- 294.17108 182.9
[M+CH3COO]- 308.18673 197.4
[M+Na-2H]- 270.14755 163.3
[M]+ 249.17233 162.8
[M]- 249.17343 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.