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: 1
Patents: 341.37698 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	342.384256	199.6
[M+Na]+	364.366198	198.2
[M-H]-	340.369704	198.3
[M+NH4]+	359.410803	212.7
[M+K]+	380.340138	196.6
[M+H-H2O]+	324.374240	191.6
[M+HCOO]-	386.375181	217.7
[M+CH3COO]-	400.390831	231.8
[M+Na-2H]-	362.351646	195.7
[M]+	341.37643142	202.5
[M]-	341.37752858	202.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe