CID 85858

15496-91-0

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CC1(CNC(=O)NC1O)C
InChI
InChI=1S/C6H12N2O2/c1-6(2)3-7-5(10)8-4(6)9/h4,9H,3H2,1-2H3,(H2,7,8,10)
InChIKey
GTNIOVHJFHUJMS-UHFFFAOYSA-N
Compound name
4-hydroxy-5,5-dimethyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

144.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.8
[M+Na]+ 167.079088 139.3
[M-H]- 143.082594 128.7
[M+NH4]+ 162.123693 150.7
[M+K]+ 183.053028 136.5
[M+H-H2O]+ 127.087130 126.9
[M+HCOO]- 189.088071 146.5
[M+CH3COO]- 203.103721 166.1
[M+Na-2H]- 165.064536 136.8
[M]+ 144.08932142 125.1
[M]- 144.09041858 125.1
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