CID 104549152

1-(3-(hydroxymethyl)phenyl)-1,3-diazinan-2-one

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CNC(=O)N(C1)C2=CC=CC(=C2)CO
InChI
InChI=1S/C11H14N2O2/c14-8-9-3-1-4-10(7-9)13-6-2-5-12-11(13)15/h1,3-4,7,14H,2,5-6,8H2,(H,12,15)
InChIKey
RGQMLQOKXMDRLD-UHFFFAOYSA-N
Compound name
1-[3-(hydroxymethyl)phenyl]-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 146.6
[M+Na]+ 229.09475 152.6
[M-H]- 205.09825 147.3
[M+NH4]+ 224.13935 161.1
[M+K]+ 245.06869 148.4
[M+H-H2O]+ 189.10279 138.5
[M+HCOO]- 251.10373 162.6
[M+CH3COO]- 265.11938 179.9
[M+Na-2H]- 227.08020 150.8
[M]+ 206.10498 140.5
[M]- 206.10608 140.5
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

No patent data available for this compound.