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

66
Patents

209.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.8
[M+Na]+ 232.130808 153.6
[M-H]- 208.134314 151.7
[M+NH4]+ 227.175413 167.1
[M+K]+ 248.104748 152.5
[M+H-H2O]+ 192.138850 141.8
[M+HCOO]- 254.139791 172.8
[M+CH3COO]- 268.155441 190.1
[M+Na-2H]- 230.116256 154.4
[M]+ 209.14104142 151.2
[M]- 209.14213858 151.2
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