CID 88294

N,n-diethyl-2-(4-nitrophenoxy)ethanamine

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKey
ZLZZAXUKBHFTHA-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(4-nitrophenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

167
Patents

238.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.7
[M+Na]+ 261.120958 159.7
[M-H]- 237.124464 159.3
[M+NH4]+ 256.165563 171.9
[M+K]+ 277.094898 155.2
[M+H-H2O]+ 221.129000 152.0
[M+HCOO]- 283.129941 181.1
[M+CH3COO]- 297.145591 193.3
[M+Na-2H]- 259.106406 160.9
[M]+ 238.13119142 156.8
[M]- 238.13228858 156.8
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