CID 109134

3-ethoxy-n,n-diethyl-4-nitrosoaniline

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=O)OCC
InChI
InChI=1S/C12H18N2O2/c1-4-14(5-2)10-7-8-11(13-15)12(9-10)16-6-3/h7-9H,4-6H2,1-3H3
InChIKey
ZGIPPORIRYMMLA-UHFFFAOYSA-N
Compound name
3-ethoxy-N,N-diethyl-4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

222.13683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 150.6
[M+Na]+ 245.12605 162.0
[M+NH4]+ 240.17065 158.5
[M+K]+ 261.09999 155.6
[M-H]- 221.12955 154.1
[M+Na-2H]- 243.11150 157.4
[M]+ 222.13628 153.1
[M]- 222.13738 153.1
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