CID 23279022

3-methylbutane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CC(C)(CCN)N

InChI

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

InChIKey

WSDOLNVCEVYCJQ-UHFFFAOYSA-N

Compound name

3-methylbutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 772
Patents: 102.1157 Da
Monoisotopic Mass: -0.7
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	121.6
[M+Na]+	125.10492	129.8
[M+NH4]+	120.14952	129.6
[M+K]+	141.07886	125.7
[M-H]-	101.10842	121.7
[M+Na-2H]-	123.09037	125.3
[M]+	102.11515	122.5
[M]-	102.11625	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe