CID 3086549

1,3,5-triazine, 1,3,5-trihexylhexahydro-

Structural Information

Molecular Formula
C21H45N3
SMILES
CCCCCCN1CN(CN(C1)CCCCCC)CCCCCC
InChI
InChI=1S/C21H45N3/c1-4-7-10-13-16-22-19-23(17-14-11-8-5-2)21-24(20-22)18-15-12-9-6-3/h4-21H2,1-3H3
InChIKey
FRDZMGZUEIFKEQ-UHFFFAOYSA-N
Compound name
1,3,5-trihexyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

339.36136 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.36864 195.3
[M+Na]+ 362.35058 204.1
[M+NH4]+ 357.39518 200.8
[M+K]+ 378.32452 194.8
[M-H]- 338.35408 195.2
[M+Na-2H]- 360.33603 196.2
[M]+ 339.36081 196.3
[M]- 339.36191 196.3
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

patents stripe