CID 13314806

85583-54-6

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H16N2O3/c1-2-12-3-4-13(16-11-12)9-10-20-15-7-5-14(6-8-15)17(18)19/h3-8,11H,2,9-10H2,1H3
InChIKey
KGCCHRPMSPXKJE-UHFFFAOYSA-N
Compound name
5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

272.1161 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 162.4
[M+Na]+ 295.105318 168.6
[M-H]- 271.108824 167.7
[M+NH4]+ 290.149923 176.2
[M+K]+ 311.079258 161.2
[M+H-H2O]+ 255.113360 158.0
[M+HCOO]- 317.114301 186.3
[M+CH3COO]- 331.129951 193.5
[M+Na-2H]- 293.090766 169.6
[M]+ 272.11555142 163.1
[M]- 272.11664858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe