CID 13799117

(3-amino-3-phenylpropyl)diethylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

206.1783 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.185576 151.8
[M+Na]+ 229.167518 155.6
[M-H]- 205.171024 155.4
[M+NH4]+ 224.212123 170.4
[M+K]+ 245.141458 154.2
[M+H-H2O]+ 189.175560 144.5
[M+HCOO]- 251.176501 175.9
[M+CH3COO]- 265.192151 196.9
[M+Na-2H]- 227.152966 155.2
[M]+ 206.17775142 151.2
[M]- 206.17884858 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