CID 3018099

71326-30-2

Structural Information

Molecular Formula

C₁₁H₂₈N₄

SMILES

CN(C)CCCN(CCCN)CCCN

InChI

InChI=1S/C11H28N4/c1-14(2)8-5-11-15(9-3-6-12)10-4-7-13/h3-13H2,1-2H3

InChIKey

NDYOVCQABQIDNF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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]+	217.23868	156.2
[M+Na]+	239.22062	161.3
[M+NH4]+	234.26522	162.7
[M+K]+	255.19456	156.3
[M-H]-	215.22412	157.7
[M+Na-2H]-	237.20607	158.1
[M]+	216.23085	156.7
[M]-	216.23195	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe