CID 23008789

3-[2-(diethylamino)ethoxy]aniline

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCN(CC)CCOC1=CC=CC(=C1)N
InChI
InChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-12-7-5-6-11(13)10-12/h5-7,10H,3-4,8-9,13H2,1-2H3
InChIKey
MMDPMQBHVFPULC-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

208.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 149.4
[M+Na]+ 231.14678 154.8
[M-H]- 207.15028 153.5
[M+NH4]+ 226.19138 168.2
[M+K]+ 247.12072 153.6
[M+H-H2O]+ 191.15482 142.2
[M+HCOO]- 253.15576 175.1
[M+CH3COO]- 267.17141 196.1
[M+Na-2H]- 229.13223 153.9
[M]+ 208.15701 150.9
[M]- 208.15811 150.9
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