CID 7993

3-dimethylaminopropylamine

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

8
Annotation Hits: 75
References: 71251
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]+	103.12298	122.8
[M+Na]+	125.10492	128.9
[M-H]-	101.10842	124.1
[M+NH4]+	120.14952	145.9
[M+K]+	141.07886	129.9
[M+H-H2O]+	85.112960	117.6
[M+HCOO]-	147.11390	148.8
[M+CH3COO]-	161.12955	176.6
[M+Na-2H]-	123.09037	128.9
[M]+	102.11515	122.3
[M]-	102.11625	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe