CID 3006912

2h-1,2,4-oxadiazin-3(6h)-one, 5-(dimethylamino)-

Structural Information

Molecular Formula
C5H9N3O2
SMILES
CN(C)C1=NC(=O)NOC1
InChI
InChI=1S/C5H9N3O2/c1-8(2)4-3-10-7-5(9)6-4/h3H2,1-2H3,(H,7,9)
InChIKey
OEMGGOUPZPPZQB-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-6H-1,2,4-oxadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

143.06947 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.07675 128.7
[M+Na]+ 166.05869 136.0
[M-H]- 142.06219 130.3
[M+NH4]+ 161.10329 145.9
[M+K]+ 182.03263 136.9
[M+H-H2O]+ 126.06673 121.4
[M+HCOO]- 188.06767 148.8
[M+CH3COO]- 202.08332 174.6
[M+Na-2H]- 164.04414 136.2
[M]+ 143.06892 127.0
[M]- 143.07002 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe