CID 83069

1,3,5-triazine, 1,3,5-tributylhexahydro-

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

79
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 170.2
[M+Na]+ 278.25666 173.9
[M-H]- 254.26016 167.6
[M+NH4]+ 273.30126 183.5
[M+K]+ 294.23060 170.8
[M+H-H2O]+ 238.26470 160.9
[M+HCOO]- 300.26564 184.3
[M+CH3COO]- 314.28129 201.0
[M+Na-2H]- 276.24211 170.6
[M]+ 255.26689 170.2
[M]- 255.26799 170.2
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