CID 163440

85117-98-2

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCCCC(CC)CNC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C14H22N2O2/c1-3-5-8-12(4-2)11-15-13-9-6-7-10-14(13)16(17)18/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3
InChIKey
YFGJRQXFOUTWBF-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 159.5
[M+Na]+ 273.15734 170.8
[M+NH4]+ 268.20194 167.0
[M+K]+ 289.13128 166.4
[M-H]- 249.16084 163.2
[M+Na-2H]- 271.14279 164.8
[M]+ 250.16757 161.9
[M]- 250.16867 161.9
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.