CID 53440147

4h,6h-pyrido[1,2-c][1,3,5]oxadiazine

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1C=CC=C2N1COC=N2
InChI
InChI=1S/C7H8N2O/c1-2-4-9-6-10-5-8-7(9)3-1/h1-3,5H,4,6H2
InChIKey
JXIBWZNIZFYBMQ-UHFFFAOYSA-N
Compound name
4,6-dihydropyrido[1,2-c][1,3,5]oxadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.0
[M+Na]+ 159.052878 131.8
[M-H]- 135.056384 125.9
[M+NH4]+ 154.097483 142.5
[M+K]+ 175.026818 131.2
[M+H-H2O]+ 119.060920 116.5
[M+HCOO]- 181.061861 142.9
[M+CH3COO]- 195.077511 137.4
[M+Na-2H]- 157.038326 135.3
[M]+ 136.06311142 122.1
[M]- 136.06420858 122.1
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

No patent data available for this compound.