CID 153829754

5-methyl-3-(1-methylpyrazol-4-yl)-5,6-dihydro-1,4,2-dioxazine

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CC1CON=C(O1)C2=CN(N=C2)C
InChI
InChI=1S/C8H11N3O2/c1-6-5-12-10-8(13-6)7-3-9-11(2)4-7/h3-4,6H,5H2,1-2H3
InChIKey
OGZAOTGWGUCSIB-UHFFFAOYSA-N
Compound name
5-methyl-3-(1-methylpyrazol-4-yl)-5,6-dihydro-1,4,2-dioxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 137.7
[M+Na]+ 204.074348 146.9
[M-H]- 180.077854 141.8
[M+NH4]+ 199.118953 152.8
[M+K]+ 220.048288 147.4
[M+H-H2O]+ 164.082390 129.5
[M+HCOO]- 226.083331 156.4
[M+CH3COO]- 240.098981 151.0
[M+Na-2H]- 202.059796 143.7
[M]+ 181.08458142 138.9
[M]- 181.08567858 138.9
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.