CID 111671

68867-66-3

Structural Information

Molecular Formula

C₂₄H₅₂N₂O

SMILES

CCCCCCCCCCCCCCCCCCOCCCNCCCN

InChI

InChI=1S/C24H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-24-19-22-26-21-18-20-25/h26H,2-25H2,1H3

InChIKey

IIGPZNTWBXMEFO-UHFFFAOYSA-N

Compound name

N'-(3-octadecoxypropyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 384.40796 Da
Monoisotopic Mass: 8.3
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]+	385.41524	207.6
[M+Na]+	407.39718	212.0
[M+NH4]+	402.44178	212.1
[M+K]+	423.37112	202.4
[M-H]-	383.40068	207.1
[M+Na-2H]-	405.38263	206.5
[M]+	384.40741	207.6
[M]-	384.40851	207.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe