CID 14227

Trioctylamine

Structural Information

Molecular Formula
C24H51N
SMILES
CCCCCCCCN(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
XTAZYLNFDRKIHJ-UHFFFAOYSA-N
Compound name
N,N-dioctyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

80
References

48239
Patents

353.40216 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.40944 204.8
[M+Na]+ 376.39138 203.8
[M-H]- 352.39488 203.0
[M+NH4]+ 371.43598 218.4
[M+K]+ 392.36532 200.1
[M+H-H2O]+ 336.39942 196.3
[M+HCOO]- 398.40036 224.0
[M+CH3COO]- 412.41601 229.7
[M+Na-2H]- 374.37683 201.6
[M]+ 353.40161 213.4
[M]- 353.40271 213.4
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.