CID 14858456

133258-69-2

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1COCC(=N1)NC#N
InChI
InChI=1S/C5H7N3O/c6-4-8-5-3-9-2-1-7-5/h1-3H2,(H,7,8)
InChIKey
OWGCMGRMXGZOLM-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-1,4-oxazin-5-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

125.058914 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 120.6
[M+Na]+ 148.04813 128.7
[M-H]- 124.05164 122.4
[M+NH4]+ 143.09274 137.5
[M+K]+ 164.02207 128.7
[M+H-H2O]+ 108.05617 107.3
[M+HCOO]- 170.05712 139.0
[M+CH3COO]- 184.07276 183.3
[M+Na-2H]- 146.03358 129.7
[M]+ 125.05837 113.0
[M]- 125.05946 113.0
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

patents stripe