CID 519978

N-(2,2-diethoxyethyl)aniline

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCOC(CNC1=CC=CC=C1)OCC
InChI
InChI=1S/C12H19NO2/c1-3-14-12(15-4-2)10-13-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey
DHGUGEBXVGPRRD-UHFFFAOYSA-N
Compound name
N-(2,2-diethoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

209.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.7
[M+Na]+ 232.13081 159.5
[M+NH4]+ 227.17541 156.6
[M+K]+ 248.10475 152.9
[M-H]- 208.13431 151.0
[M+Na-2H]- 230.11626 155.1
[M]+ 209.14104 150.7
[M]- 209.14214 150.7
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

patents stripe