CID 88084

19475-69-5

Structural Information

Molecular Formula

C₁₁H₂₈N₄

SMILES

CN(C)CCCNCCCNCCCN

InChI

InChI=1S/C11H28N4/c1-15(2)11-5-10-14-9-4-8-13-7-3-6-12/h13-14H,3-12H2,1-2H3

InChIKey

OYEMOASLKDSYHR-UHFFFAOYSA-N

Compound name

N'-[3-[3-(dimethylamino)propylamino]propyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 13
Patents: 216.2314 Da
Monoisotopic Mass: -0.5
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]+	217.238676	155.6
[M+Na]+	239.220618	157.4
[M-H]-	215.224124	155.6
[M+NH4]+	234.265223	173.3
[M+K]+	255.194558	156.9
[M+H-H2O]+	199.228660	147.9
[M+HCOO]-	261.229601	181.5
[M+CH3COO]-	275.245251	205.0
[M+Na-2H]-	237.206066	159.1
[M]+	216.23085142	155.7
[M]-	216.23194858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe