CID 91360

25254-50-6

Structural Information

Molecular Formula
C12H27N3O3
SMILES
CC(CN1CN(CN(C1)CC(C)O)CC(C)O)O
InChI
InChI=1S/C12H27N3O3/c1-10(16)4-13-7-14(5-11(2)17)9-15(8-13)6-12(3)18/h10-12,16-18H,4-9H2,1-3H3
InChIKey
QUGSRMKLRLHUHU-UHFFFAOYSA-N
Compound name
1-[3,5-bis(2-hydroxypropyl)-1,3,5-triazinan-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

196
Patents

261.20523 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21251 165.2
[M+Na]+ 284.19445 171.6
[M+NH4]+ 279.23905 168.9
[M+K]+ 300.16839 169.6
[M-H]- 260.19795 161.6
[M+Na-2H]- 282.17990 164.2
[M]+ 261.20468 164.4
[M]- 261.20578 164.4
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