CID 77927

2,3,5,6-tetramethylbenzene-1,4-diethylamine

Structural Information

Molecular Formula
C14H24N2
SMILES
CC1=C(C(=C(C(=C1CCN)C)C)CCN)C
InChI
InChI=1S/C14H24N2/c1-9-10(2)14(6-8-16)12(4)11(3)13(9)5-7-15/h5-8,15-16H2,1-4H3
InChIKey
QIQFBRQQQBFQBX-UHFFFAOYSA-N
Compound name
2-[4-(2-aminoethyl)-2,3,5,6-tetramethylphenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

220.19395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.201226 155.1
[M+Na]+ 243.183168 163.4
[M-H]- 219.186674 158.5
[M+NH4]+ 238.227773 174.0
[M+K]+ 259.157108 159.7
[M+H-H2O]+ 203.191210 149.1
[M+HCOO]- 265.192151 178.7
[M+CH3COO]- 279.207801 201.0
[M+Na-2H]- 241.168616 155.4
[M]+ 220.19340142 155.2
[M]- 220.19449858 155.2
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