CID 107182

3857-80-5

Structural Information

Molecular Formula
C21H47N3
SMILES
CCCCC(CC)CNCC(C)(CN(C)CC(CC)CCCC)N
InChI
InChI=1S/C21H47N3/c1-7-11-13-19(9-3)15-23-17-21(5,22)18-24(6)16-20(10-4)14-12-8-2/h19-20,23H,7-18,22H2,1-6H3
InChIKey
RCNXUTDLDYQBIV-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(2-ethylhexyl)-3-N,2-dimethylpropane-1,2,3-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.37698 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.38426 199.6
[M+Na]+ 364.36620 198.2
[M-H]- 340.36970 198.3
[M+NH4]+ 359.41080 212.7
[M+K]+ 380.34014 196.6
[M+H-H2O]+ 324.37424 191.6
[M+HCOO]- 386.37518 217.7
[M+CH3COO]- 400.39083 231.8
[M+Na-2H]- 362.35165 195.7
[M]+ 341.37643 202.5
[M]- 341.37753 202.5
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

No patent data available for this compound.