CID 77574

Hexahydro-1,3,5-tris(3-methoxypropyl)-s-triazine

Structural Information

Molecular Formula
C15H33N3O3
SMILES
COCCCN1CN(CN(C1)CCCOC)CCCOC
InChI
InChI=1S/C15H33N3O3/c1-19-10-4-7-16-13-17(8-5-11-20-2)15-18(14-16)9-6-12-21-3/h4-15H2,1-3H3
InChIKey
BYWNSSMFBBZKMO-UHFFFAOYSA-N
Compound name
1,3,5-tris(3-methoxypropyl)-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

303.2522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.25948 178.1
[M+Na]+ 326.24142 181.5
[M-H]- 302.24492 175.5
[M+NH4]+ 321.28602 189.2
[M+K]+ 342.21536 179.9
[M+H-H2O]+ 286.24946 168.3
[M+HCOO]- 348.25040 192.9
[M+CH3COO]- 362.26605 206.9
[M+Na-2H]- 324.22687 178.7
[M]+ 303.25165 182.5
[M]- 303.25275 182.5
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