CID 118896

2,5-diethoxy-n-ethylaniline

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCNC1=C(C=CC(=C1)OCC)OCC
InChI
InChI=1S/C12H19NO2/c1-4-13-11-9-10(14-5-2)7-8-12(11)15-6-3/h7-9,13H,4-6H2,1-3H3
InChIKey
FFGGKPPVNIPGAK-UHFFFAOYSA-N
Compound name
2,5-diethoxy-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 147.7
[M+Na]+ 232.13081 159.6
[M+NH4]+ 227.17541 155.8
[M+K]+ 248.10475 152.6
[M-H]- 208.13431 150.3
[M+Na-2H]- 230.11626 154.0
[M]+ 209.14104 150.0
[M]- 209.14214 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.