CID 14858455

5-methoxy-3,6-dihydro-2h-oxazine

Structural Information

Molecular Formula
C5H9NO2
SMILES
COC1=NCCOC1
InChI
InChI=1S/C5H9NO2/c1-7-5-4-8-3-2-6-5/h2-4H2,1H3
InChIKey
VDRWGEPHOPCAAB-UHFFFAOYSA-N
Compound name
5-methoxy-3,6-dihydro-2H-1,4-oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

115.06333 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 119.9
[M+Na]+ 138.052548 127.1
[M-H]- 114.056054 122.6
[M+NH4]+ 133.097153 139.9
[M+K]+ 154.026488 128.6
[M+H-H2O]+ 98.060590 113.9
[M+HCOO]- 160.061531 141.2
[M+CH3COO]- 174.077181 165.8
[M+Na-2H]- 136.037996 129.3
[M]+ 115.06278142 119.5
[M]- 115.06387858 119.5
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