CID 114356

2h-1,3,4-oxadiazinium, tetrahydro-4,4-dimethyl-2-oxo-, chloride

Structural Information

Molecular Formula
C5H11N2O2
SMILES
C[N+]1(CCOC(=O)N1)C
InChI
InChI=1S/C5H10N2O2/c1-7(2)3-4-9-5(8)6-7/h3-4H2,1-2H3/p+1
InChIKey
VINFSAKOKBWPQA-UHFFFAOYSA-O
Compound name
4,4-dimethyl-1,3,4-oxadiazinan-4-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.08205 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08933 122.2
[M+Na]+ 154.07127 129.9
[M-H]- 130.07477 122.7
[M+NH4]+ 149.11587 141.6
[M+K]+ 170.04521 124.7
[M+H-H2O]+ 114.07931 119.5
[M+HCOO]- 176.08025 139.1
[M+CH3COO]- 190.09590 160.0
[M+Na-2H]- 152.05672 133.0
[M]+ 131.08150 117.3
[M]- 131.08260 117.3
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.