CID 4121730

N,n',n''-trihexyldiethylenetriamine

Structural Information

Molecular Formula
C22H49N3
SMILES
CCCCCCNCCN(CCCCCC)CCNCCCCCC
InChI
InChI=1S/C22H49N3/c1-4-7-10-13-16-23-18-21-25(20-15-12-9-6-3)22-19-24-17-14-11-8-5-2/h23-24H,4-22H2,1-3H3
InChIKey
QHVDQQBHZSMNAX-UHFFFAOYSA-N
Compound name
N,N'-dihexyl-N'-[2-(hexylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

355.39264 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.39992 201.3
[M+Na]+ 378.38186 199.3
[M-H]- 354.38536 199.7
[M+NH4]+ 373.42646 214.1
[M+K]+ 394.35580 196.3
[M+H-H2O]+ 338.38990 192.1
[M+HCOO]- 400.39084 223.2
[M+CH3COO]- 414.40649 233.4
[M+Na-2H]- 376.36731 199.9
[M]+ 355.39209 207.4
[M]- 355.39319 207.4
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