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 160.9
[M+Na]+ 273.15734 164.7
[M-H]- 249.16084 163.7
[M+NH4]+ 268.20194 176.9
[M+K]+ 289.13128 158.3
[M+H-H2O]+ 233.16538 158.3
[M+HCOO]- 295.16632 184.9
[M+CH3COO]- 309.18197 194.5
[M+Na-2H]- 271.14279 165.4
[M]+ 250.16757 160.4
[M]- 250.16867 160.4
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

No patent data available for this compound.