CID 231833

2-nitrophenyl pentyl ether

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCCCCOC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C11H15NO3/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey
YRVCISCRAMHCFP-UHFFFAOYSA-N
Compound name
1-nitro-2-pentoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

143
Patents

209.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.8
[M+Na]+ 232.09442 153.1
[M-H]- 208.09792 150.2
[M+NH4]+ 227.13902 164.9
[M+K]+ 248.06836 147.5
[M+H-H2O]+ 192.10246 145.0
[M+HCOO]- 254.10340 172.1
[M+CH3COO]- 268.11905 182.0
[M+Na-2H]- 230.07987 153.9
[M]+ 209.10465 148.1
[M]- 209.10575 148.1
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