CID 469906

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

Structural Information

Molecular Formula
C14H32N2
SMILES
CCCCC(C)NCCNC(C)CCCC
InChI
InChI=1S/C14H32N2/c1-5-7-9-13(3)15-11-12-16-14(4)10-8-6-2/h13-16H,5-12H2,1-4H3
InChIKey
AYTDFDBZORIXSG-UHFFFAOYSA-N
Compound name
N,N'-di(hexan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

228.25655 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.26383 165.0
[M+Na]+ 251.24577 166.7
[M-H]- 227.24927 163.8
[M+NH4]+ 246.29037 182.6
[M+K]+ 267.21971 165.2
[M+H-H2O]+ 211.25381 158.3
[M+HCOO]- 273.25475 186.1
[M+CH3COO]- 287.27040 202.8
[M+Na-2H]- 249.23122 165.5
[M]+ 228.25600 166.3
[M]- 228.25710 166.3
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.