CID 14637946

Pentane-1,2-diamine

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CCCC(CN)N

InChI

InChI=1S/C5H14N2/c1-2-3-5(7)4-6/h5H,2-4,6-7H2,1H3

InChIKey

LPGZAWSMGCIBOF-UHFFFAOYSA-N

Compound name

pentane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1538
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	123.7
[M+Na]+	125.10492	129.4
[M-H]-	101.10842	123.1
[M+NH4]+	120.14952	145.8
[M+K]+	141.07886	129.1
[M+H-H2O]+	85.112960	118.7
[M+HCOO]-	147.11390	147.5
[M+CH3COO]-	161.12955	173.3
[M+Na-2H]-	123.09037	128.2
[M]+	102.11515	120.2
[M]-	102.11625	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe