CID 19032309

N,2-dimethyl-1,3-propanediamine

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CC(CN)CNC

InChI

InChI=1S/C5H14N2/c1-5(3-6)4-7-2/h5,7H,3-4,6H2,1-2H3

InChIKey

HKAXXLXZPQLQHR-UHFFFAOYSA-N

Compound name

N',2-dimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 102.1157 Da
Monoisotopic Mass: -0.3
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]+	103.122976	123.4
[M+Na]+	125.104918	129.1
[M-H]-	101.108424	123.3
[M+NH4]+	120.149523	145.8
[M+K]+	141.078858	129.1
[M+H-H2O]+	85.112960	118.4
[M+HCOO]-	147.113901	147.9
[M+CH3COO]-	161.129551	173.9
[M+Na-2H]-	123.090366	129.0
[M]+	102.11515142	120.9
[M]-	102.11624858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe