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

16
Patents

339.36136 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.368636 195.9
[M+Na]+ 362.350578 197.0
[M-H]- 338.354084 192.2
[M+NH4]+ 357.395183 205.8
[M+K]+ 378.324518 192.4
[M+H-H2O]+ 322.358620 185.4
[M+HCOO]- 384.359561 208.0
[M+CH3COO]- 398.375211 218.8
[M+Na-2H]- 360.336026 193.2
[M]+ 339.36081142 198.2
[M]- 339.36190858 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