CID 67261

1,3,5-triazin-2(1h)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-

Structural Information

Molecular Formula
C7H15N3O3
SMILES
CCN1CN(C(=O)N(C1)CO)CO
InChI
InChI=1S/C7H15N3O3/c1-2-8-3-9(5-11)7(13)10(4-8)6-12/h11-12H,2-6H2,1H3
InChIKey
PTNSEMBHJXYTES-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

189.11134 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.11862 143.8
[M+Na]+ 212.10056 151.1
[M-H]- 188.10406 140.4
[M+NH4]+ 207.14516 158.3
[M+K]+ 228.07450 149.0
[M+H-H2O]+ 172.10860 136.5
[M+HCOO]- 234.10954 158.4
[M+CH3COO]- 248.12519 178.4
[M+Na-2H]- 210.08601 146.7
[M]+ 189.11079 141.2
[M]- 189.11189 141.2
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