CID 13956018

N,n(or n,n')-dioctylpropane-1,3-diamine

Structural Information

Molecular Formula
C19H42N2
SMILES
CCCCCCCCN(CCCCCCCC)CCCN
InChI
InChI=1S/C19H42N2/c1-3-5-7-9-11-13-17-21(19-15-16-20)18-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
ZINLVDIYZWIFLG-UHFFFAOYSA-N
Compound name
N',N'-dioctylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

298.3348 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.342076 186.1
[M+Na]+ 321.324018 186.3
[M-H]- 297.327524 184.7
[M+NH4]+ 316.368623 201.3
[M+K]+ 337.297958 183.6
[M+H-H2O]+ 281.332060 178.0
[M+HCOO]- 343.333001 207.4
[M+CH3COO]- 357.348651 219.0
[M+Na-2H]- 319.309466 184.7
[M]+ 298.33425142 190.9
[M]- 298.33534858 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe