CID 58064087

Schembl10040904

Structural Information

Molecular Formula
C4H9N3O
SMILES
CN1COCN=C1N
InChI
InChI=1S/C4H9N3O/c1-7-3-8-2-6-4(7)5/h2-3H2,1H3,(H2,5,6)
InChIKey
USIRMFOWPKXKII-UHFFFAOYSA-N
Compound name
3-methyl-2,6-dihydro-1,3,5-oxadiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

115.07456 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.081836 122.4
[M+Na]+ 138.063778 130.1
[M-H]- 114.067284 123.4
[M+NH4]+ 133.108383 140.6
[M+K]+ 154.037718 130.5
[M+H-H2O]+ 98.071820 115.4
[M+HCOO]- 160.072761 142.7
[M+CH3COO]- 174.088411 169.5
[M+Na-2H]- 136.049226 130.5
[M]+ 115.07401142 119.3
[M]- 115.07510858 119.3
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