CID 16762856

4-(2-aminoethyl)-n,n-diethylaniline

Structural Information

Molecular Formula
C12H20N2
SMILES
CCN(CC)C1=CC=C(C=C1)CCN
InChI
InChI=1S/C12H20N2/c1-3-14(4-2)12-7-5-11(6-8-12)9-10-13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKey
CVTJQHIPOJCVSQ-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

192.16264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 146.2
[M+Na]+ 215.151858 151.7
[M-H]- 191.155364 150.4
[M+NH4]+ 210.196463 165.8
[M+K]+ 231.125798 150.0
[M+H-H2O]+ 175.159900 139.3
[M+HCOO]- 237.160841 171.7
[M+CH3COO]- 251.176491 194.1
[M+Na-2H]- 213.137306 150.8
[M]+ 192.16209142 146.3
[M]- 192.16318858 146.3
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