CID 3084802

1,4-benzenedimethanamine, n1,n1,n4,n4-tetraethyl-

Structural Information

Molecular Formula
C16H28N2
SMILES
CCN(CC)CC1=CC=C(C=C1)CN(CC)CC
InChI
InChI=1S/C16H28N2/c1-5-17(6-2)13-15-9-11-16(12-10-15)14-18(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey
AALVUMWHVZETDU-UHFFFAOYSA-N
Compound name
N-[[4-(diethylaminomethyl)phenyl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

248.22525 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.232526 164.7
[M+Na]+ 271.214468 168.6
[M-H]- 247.217974 170.2
[M+NH4]+ 266.259073 182.9
[M+K]+ 287.188408 167.7
[M+H-H2O]+ 231.222510 156.7
[M+HCOO]- 293.223451 189.9
[M+CH3COO]- 307.239101 210.4
[M+Na-2H]- 269.199916 167.4
[M]+ 248.22470142 168.6
[M]- 248.22579858 168.6
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