CID 107147

Propoctamine

Structural Information

Molecular Formula
C20H45N3
SMILES
CCCCC(CC)CNCC(C)(CNCC(CC)CCCC)N
InChI
InChI=1S/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3
InChIKey
STNVDPRWLDHKCY-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

327.36136 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.36864 194.2
[M+Na]+ 350.35058 192.9
[M-H]- 326.35408 191.5
[M+NH4]+ 345.39518 207.2
[M+K]+ 366.32452 190.2
[M+H-H2O]+ 310.35862 186.5
[M+HCOO]- 372.35956 212.1
[M+CH3COO]- 386.37521 225.5
[M+Na-2H]- 348.33603 191.6
[M]+ 327.36081 195.4
[M]- 327.36191 195.4
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