CID 104556

Triazinetriethanol

Structural Information

Molecular Formula
C9H21N3O3
SMILES
C1N(CN(CN1CCO)CCO)CCO
InChI
InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2
InChIKey
HUHGPYXAVBJSJV-UHFFFAOYSA-N
Compound name
2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

6484
Patents

219.1583 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16558 154.2
[M+Na]+ 242.14752 158.9
[M-H]- 218.15102 148.6
[M+NH4]+ 237.19212 166.5
[M+K]+ 258.12146 156.1
[M+H-H2O]+ 202.15556 146.3
[M+HCOO]- 264.15650 166.4
[M+CH3COO]- 278.17215 181.6
[M+Na-2H]- 240.13297 156.3
[M]+ 219.15775 150.8
[M]- 219.15885 150.8
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