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]+ 249.23253 164.7
[M+Na]+ 271.21447 168.6
[M-H]- 247.21797 170.2
[M+NH4]+ 266.25907 182.9
[M+K]+ 287.18841 167.7
[M+H-H2O]+ 231.22251 156.7
[M+HCOO]- 293.22345 189.9
[M+CH3COO]- 307.23910 210.4
[M+Na-2H]- 269.19992 167.4
[M]+ 248.22470 168.6
[M]- 248.22580 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