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

1
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

literature stripe

Patent stripe

patents stripe