CID 10420404

N(4)-aminopropylspermidine

Structural Information

Molecular Formula

C₁₀H₂₆N₄

SMILES

C(CCN(CCCN)CCCN)CN

InChI

InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2

InChIKey

CAARYRKDWMNHCB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 202.21574 Da
Monoisotopic Mass: -1.1
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]+	203.223016	150.9
[M+Na]+	225.204958	153.2
[M-H]-	201.208464	150.1
[M+NH4]+	220.249563	168.6
[M+K]+	241.178898	152.3
[M+H-H2O]+	185.213000	143.5
[M+HCOO]-	247.213941	175.9
[M+CH3COO]-	261.229591	200.8
[M+Na-2H]-	223.190406	152.8
[M]+	202.21519142	148.6
[M]-	202.21628858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe