CID 80149

Einecs 227-951-6

Structural Information

Molecular Formula

C₁₄H₃₃N₃

SMILES

CCN(CC)CCCNCCCN(CC)CC

InChI

InChI=1S/C14H33N3/c1-5-16(6-2)13-9-11-15-12-10-14-17(7-3)8-4/h15H,5-14H2,1-4H3

InChIKey

MUFLLFPHQQDPIW-UHFFFAOYSA-N

Compound name

N-[3-(diethylamino)propyl]-N',N'-diethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 243.26744 Da
Monoisotopic Mass: 2.1
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]+	244.27472	168.1
[M+Na]+	266.25666	169.6
[M-H]-	242.26016	169.6
[M+NH4]+	261.30126	186.0
[M+K]+	282.23060	170.1
[M+H-H2O]+	226.26470	160.2
[M+HCOO]-	288.26564	193.1
[M+CH3COO]-	302.28129	213.1
[M+Na-2H]-	264.24211	169.8
[M]+	243.26689	172.4
[M]-	243.26799	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe