CID 86578

17496-94-5

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CC1(CNC(=O)NC1OC)C
InChI
InChI=1S/C7H14N2O2/c1-7(2)4-8-6(10)9-5(7)11-3/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKey
JCAFJPDEUMZITK-UHFFFAOYSA-N
Compound name
4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

158.10553 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 134.9
[M+Na]+ 181.094748 142.3
[M-H]- 157.098254 133.1
[M+NH4]+ 176.139353 154.0
[M+K]+ 197.068688 140.3
[M+H-H2O]+ 141.102790 129.5
[M+HCOO]- 203.103731 150.8
[M+CH3COO]- 217.119381 171.6
[M+Na-2H]- 179.080196 140.0
[M]+ 158.10498142 130.4
[M]- 158.10607858 130.4
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