CID 1512484

2,4,6-triethyl-1,3,5-benzenetrimethanamine trihydrochloride

Structural Information

Molecular Formula
C15H27N3
SMILES
CCC1=C(C(=C(C(=C1CN)CC)CN)CC)CN
InChI
InChI=1S/C15H27N3/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17/h4-9,16-18H2,1-3H3
InChIKey
DBOPPHIBSRVLLK-UHFFFAOYSA-N
Compound name
[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

249.2205 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.22778 164.4
[M+Na]+ 272.20972 171.4
[M-H]- 248.21322 167.0
[M+NH4]+ 267.25432 181.3
[M+K]+ 288.18366 167.1
[M+H-H2O]+ 232.21776 157.6
[M+HCOO]- 294.21870 187.9
[M+CH3COO]- 308.23435 208.7
[M+Na-2H]- 270.19517 163.3
[M]+ 249.21995 163.1
[M]- 249.22105 163.1
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