CID 55288148

1-(2-hydroxyethyl)-1,3-diazinan-2-one

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1CNC(=O)N(C1)CCO
InChI
InChI=1S/C6H12N2O2/c9-5-4-8-3-1-2-7-6(8)10/h9H,1-5H2,(H,7,10)
InChIKey
SNUUBCVNJIAAML-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

144.08987 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.6
[M+Na]+ 167.079088 137.5
[M-H]- 143.082594 129.1
[M+NH4]+ 162.123693 148.8
[M+K]+ 183.053028 135.4
[M+H-H2O]+ 127.087130 125.1
[M+HCOO]- 189.088071 147.8
[M+CH3COO]- 203.103721 167.8
[M+Na-2H]- 165.064536 136.6
[M]+ 144.08932142 126.0
[M]- 144.09041858 126.0
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