CID 82728

10563-29-8

Structural Information

Molecular Formula

C₈H₂₁N₃

SMILES

CN(C)CCCNCCCN

InChI

InChI=1S/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3

InChIKey

OMKZWUPRGQMQJC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2561
Patents: 159.17355 Da
Monoisotopic Mass: -0.4
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]+	160.18083	139.9
[M+Na]+	182.16277	143.8
[M-H]-	158.16627	140.6
[M+NH4]+	177.20737	160.3
[M+K]+	198.13671	144.0
[M+H-H2O]+	142.17081	133.4
[M+HCOO]-	204.17175	165.8
[M+CH3COO]-	218.18740	190.8
[M+Na-2H]-	180.14822	144.6
[M]+	159.17300	139.7
[M]-	159.17410	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe