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
6
Annotation Hits

3
References

13900
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.