CID 1102

Spermidine

Structural Information

Molecular Formula

C₇H₁₉N₃

SMILES

C(CCNCCCN)CN

InChI

InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

InChIKey

ATHGHQPFGPMSJY-UHFFFAOYSA-N

Compound name

N'-(3-aminopropyl)butane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 7689
References: 86695
Patents: 145.1579 Da
Monoisotopic Mass: -1.0
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]+	146.16518	133.3
[M+Na]+	168.14712	140.1
[M+NH4]+	163.19172	140.6
[M+K]+	184.12106	134.7
[M-H]-	144.15062	134.2
[M+Na-2H]-	166.13257	136.3
[M]+	145.15735	134.0
[M]-	145.15845	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe