CID 469918

N-isopropy-n',n'-dihexyl-ethylenediamine

Structural Information

Molecular Formula
C17H38N2
SMILES
CCCCCCC(CCCCC)NCCNC(C)C
InChI
InChI=1S/C17H38N2/c1-5-7-9-11-13-17(12-10-8-6-2)19-15-14-18-16(3)4/h16-19H,5-15H2,1-4H3
InChIKey
INHPPOSTNCWQGC-UHFFFAOYSA-N
Compound name
N'-dodecan-6-yl-N-propan-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.3035 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.31078 178.4
[M+Na]+ 293.29272 178.8
[M-H]- 269.29622 176.6
[M+NH4]+ 288.33732 194.3
[M+K]+ 309.26666 176.6
[M+H-H2O]+ 253.30076 171.1
[M+HCOO]- 315.30170 198.5
[M+CH3COO]- 329.31735 211.8
[M+Na-2H]- 291.27817 177.3
[M]+ 270.30295 180.8
[M]- 270.30405 180.8
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

No patent data available for this compound.