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

53566
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

literature stripe

Patent stripe

patents stripe