CID 300673

2,4-pentanediamine

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CC(CC(C)N)N

InChI

InChI=1S/C5H14N2/c1-4(6)3-5(2)7/h4-5H,3,6-7H2,1-2H3

InChIKey

JGQDLMSXMOGEMC-UHFFFAOYSA-N

Compound name

pentane-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1411
Patents: 102.1157 Da
Monoisotopic Mass: -0.4
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	124.6
[M+Na]+	125.104918	130.1
[M-H]-	101.108424	124.1
[M+NH4]+	120.149523	146.6
[M+K]+	141.078858	130.2
[M+H-H2O]+	85.112960	119.7
[M+HCOO]-	147.113901	147.4
[M+CH3COO]-	161.129551	174.2
[M+Na-2H]-	123.090366	127.7
[M]+	102.11515142	120.4
[M]-	102.11624858	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe