CID 87629710

Einecs 301-482-8

Structural Information

Molecular Formula

C₂₄H₅₁N₃

SMILES

CCCCCCCC/C=C\CCCCCCCCN(CCCN)CCCN

InChI

InChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(23-18-20-25)24-19-21-26/h9-10H,2-8,11-26H2,1H3/b10-9-

InChIKey

KSWPRMYMOCDMFJ-KTKRTIGZSA-N

Compound name

N'-(3-aminopropyl)-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 381.4083 Da
Monoisotopic Mass: 7.0
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]+	382.415576	208.3
[M+Na]+	404.397518	205.9
[M-H]-	380.401024	205.4
[M+NH4]+	399.442123	219.5
[M+K]+	420.371458	201.2
[M+H-H2O]+	364.405560	199.0
[M+HCOO]-	426.406501	228.6
[M+CH3COO]-	440.422151	236.6
[M+Na-2H]-	402.382966	203.9
[M]+	381.40775142	212.4
[M]-	381.40884858	212.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe