CID 141653

Decyl 4-nitrophenyl ether

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h10-13H,2-9,14H2,1H3
InChIKey
FQIOGTJBANMZNX-UHFFFAOYSA-N
Compound name
1-decoxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

279.18344 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 167.8
[M+Na]+ 302.17266 179.8
[M+NH4]+ 297.21726 175.0
[M+K]+ 318.14660 174.2
[M-H]- 278.17616 170.9
[M+Na-2H]- 300.15811 172.8
[M]+ 279.18289 170.2
[M]- 279.18399 170.2
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