CID 296044

Benzyl[2-(diethylamino)ethyl]amine

Structural Information

Molecular Formula
C13H22N2
SMILES
CCN(CC)CCNCC1=CC=CC=C1
InChI
InChI=1S/C13H22N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey
VFXMWBGLBNFTSY-UHFFFAOYSA-N
Compound name
N-benzyl-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

206.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.18558 150.5
[M+Na]+ 229.16752 154.6
[M-H]- 205.17102 154.6
[M+NH4]+ 224.21212 169.4
[M+K]+ 245.14146 153.0
[M+H-H2O]+ 189.17556 143.1
[M+HCOO]- 251.17650 176.2
[M+CH3COO]- 265.19215 196.7
[M+Na-2H]- 227.15297 156.3
[M]+ 206.17775 151.6
[M]- 206.17885 151.6
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