CID 7791

Bis(2-ethylhexyl)amine

Structural Information

Molecular Formula
C16H35N
SMILES
CCCCC(CC)CNCC(CC)CCCC
InChI
InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
InChIKey
SAIKULLUBZKPDA-UHFFFAOYSA-N
Compound name
2-ethyl-N-(2-ethylhexyl)hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

14894
Patents

241.27695 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.28423 170.3
[M+Na]+ 264.26617 172.0
[M-H]- 240.26967 168.8
[M+NH4]+ 259.31077 187.7
[M+K]+ 280.24011 170.0
[M+H-H2O]+ 224.27421 163.7
[M+HCOO]- 286.27515 189.7
[M+CH3COO]- 300.29080 203.9
[M+Na-2H]- 262.25162 169.5
[M]+ 241.27640 173.2
[M]- 241.27750 173.2
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