CID 469915

15411-40-2

Structural Information

Molecular Formula
C26H56N2
SMILES
CCCCCCCCCCCCNCCNCCCCCCCCCCCC
InChI
InChI=1S/C26H56N2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-26-28-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKey
ALZARSJEJMWPOM-UHFFFAOYSA-N
Compound name
N,N'-didodecylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

134
Patents

396.44434 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.45162 213.8
[M+Na]+ 419.43356 210.8
[M-H]- 395.43706 209.9
[M+NH4]+ 414.47816 224.6
[M+K]+ 435.40750 205.3
[M+H-H2O]+ 379.44160 204.5
[M+HCOO]- 441.44254 232.9
[M+CH3COO]- 455.45819 237.0
[M+Na-2H]- 417.41901 210.8
[M]+ 396.44379 221.0
[M]- 396.44489 221.0
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