CID 7993

109-55-7

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CN(C)CCCN

InChI

InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3

InChIKey

IUNMPGNGSSIWFP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 75
References: 72458
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	122.8
[M+Na]+	125.104918	128.9
[M-H]-	101.108424	124.1
[M+NH4]+	120.149523	145.9
[M+K]+	141.078858	129.9
[M+H-H2O]+	85.112960	117.6
[M+HCOO]-	147.113901	148.8
[M+CH3COO]-	161.129551	176.6
[M+Na-2H]-	123.090366	128.9
[M]+	102.11515142	122.3
[M]-	102.11624858	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe