CID 469909

N,n'-bis(2-heptyl)-ethylenediamine

Structural Information

Molecular Formula
C16H36N2
SMILES
CCCCCC(C)NCCNC(C)CCCCC
InChI
InChI=1S/C16H36N2/c1-5-7-9-11-15(3)17-13-14-18-16(4)12-10-8-6-2/h15-18H,5-14H2,1-4H3
InChIKey
NLEJUTVEZBSYNE-UHFFFAOYSA-N
Compound name
N,N'-di(heptan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.28784 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.29512 174.0
[M+Na]+ 279.27706 174.8
[M-H]- 255.28056 172.4
[M+NH4]+ 274.32166 190.4
[M+K]+ 295.25100 172.8
[M+H-H2O]+ 239.28510 166.8
[M+HCOO]- 301.28604 194.4
[M+CH3COO]- 315.30169 208.8
[M+Na-2H]- 277.26251 173.4
[M]+ 256.28729 176.0
[M]- 256.28839 176.0
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

No patent data available for this compound.