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
2
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 195.9
[M+Na]+ 362.35058 197.0
[M-H]- 338.35408 192.2
[M+NH4]+ 357.39518 205.8
[M+K]+ 378.32452 192.4
[M+H-H2O]+ 322.35862 185.4
[M+HCOO]- 384.35956 208.0
[M+CH3COO]- 398.37521 218.8
[M+Na-2H]- 360.33603 193.2
[M]+ 339.36081 198.2
[M]- 339.36191 198.2
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

patents stripe