CID 79670

5538-95-4

Structural Information

Molecular Formula

C₁₅H₃₄N₂

SMILES

CCCCCCCCCCCCNCCCN

InChI

InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3

InChIKey

XMMDVXFQGOEOKH-UHFFFAOYSA-N

Compound name

N'-dodecylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2942
Patents: 242.2722 Da
Monoisotopic Mass: 4.8
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]+	243.27948	165.4
[M+Na]+	265.26142	172.2
[M+NH4]+	260.30602	172.1
[M+K]+	281.23536	164.2
[M-H]-	241.26492	165.9
[M+Na-2H]-	263.24687	167.1
[M]+	242.27165	166.1
[M]-	242.27275	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe