CID 83069

1,3,5-tributyl-1,3,5-triazinane

Structural Information

Molecular Formula
C15H33N3
SMILES
CCCCN1CN(CN(C1)CCCC)CCCC
InChI
InChI=1S/C15H33N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-15H2,1-3H3
InChIKey
OIQDTXAPPNRLAS-UHFFFAOYSA-N
Compound name
1,3,5-tributyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

255.26744 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.27472 169.2
[M+Na]+ 278.25666 179.2
[M+NH4]+ 273.30126 175.7
[M+K]+ 294.23060 171.3
[M-H]- 254.26016 169.3
[M+Na-2H]- 276.24211 171.7
[M]+ 255.26689 170.4
[M]- 255.26799 170.4
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