CID 83069

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

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

54
Patents

255.26744 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.274716 170.2
[M+Na]+ 278.256658 173.9
[M-H]- 254.260164 167.6
[M+NH4]+ 273.301263 183.5
[M+K]+ 294.230598 170.8
[M+H-H2O]+ 238.264700 160.9
[M+HCOO]- 300.265641 184.3
[M+CH3COO]- 314.281291 201.0
[M+Na-2H]- 276.242106 170.6
[M]+ 255.26689142 170.2
[M]- 255.26798858 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