CID 11971069

90228-18-5

Structural Information

Molecular Formula
C8H17N3O3
SMILES
CCCN1CN(C(=O)N(C1)CO)CO
InChI
InChI=1S/C8H17N3O3/c1-2-3-9-4-10(6-12)8(14)11(5-9)7-13/h12-13H,2-7H2,1H3
InChIKey
OKTQWTOTDZMNHS-UHFFFAOYSA-N
Compound name
1,3-bis(hydroxymethyl)-5-propyl-1,3,5-triazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.127 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.134276 148.1
[M+Na]+ 226.116218 155.0
[M-H]- 202.119724 144.5
[M+NH4]+ 221.160823 162.1
[M+K]+ 242.090158 152.7
[M+H-H2O]+ 186.124260 140.7
[M+HCOO]- 248.125201 162.4
[M+CH3COO]- 262.140851 181.4
[M+Na-2H]- 224.101666 150.5
[M]+ 203.12645142 145.9
[M]- 203.12754858 145.9
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

No patent data available for this compound.