CID 14368849

116937-07-6

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1COCC2=CN=CN21
InChI
InChI=1S/C6H8N2O/c1-2-9-4-6-3-7-5-8(1)6/h3,5H,1-2,4H2
InChIKey
QCRCMKPGYVWZEH-UHFFFAOYSA-N
Compound name
6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

124.06366 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.0
[M+Na]+ 147.052878 129.2
[M-H]- 123.056384 123.1
[M+NH4]+ 142.097483 141.9
[M+K]+ 163.026818 129.2
[M+H-H2O]+ 107.060920 114.3
[M+HCOO]- 169.061861 141.1
[M+CH3COO]- 183.077511 135.1
[M+Na-2H]- 145.038326 130.1
[M]+ 124.06311142 119.6
[M]- 124.06420858 119.6
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