CID 163440

Benzenamine, n-(2-ethylhexyl)-2-nitro-

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]+ 251.175396 160.9
[M+Na]+ 273.157338 164.7
[M-H]- 249.160844 163.7
[M+NH4]+ 268.201943 176.9
[M+K]+ 289.131278 158.3
[M+H-H2O]+ 233.165380 158.3
[M+HCOO]- 295.166321 184.9
[M+CH3COO]- 309.181971 194.5
[M+Na-2H]- 271.142786 165.4
[M]+ 250.16757142 160.4
[M]- 250.16866858 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.