CID 287364

1,3-oxazinane

Structural Information

Molecular Formula
C4H9NO
SMILES
C1CNCOC1
InChI
InChI=1S/C4H9NO/c1-2-5-4-6-3-1/h5H,1-4H2
InChIKey
LQPOOAJESJYDLS-UHFFFAOYSA-N
Compound name
1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3992
Patents

87.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.4
[M+Na]+ 110.05763 120.4
[M-H]- 86.061134 116.0
[M+NH4]+ 105.10223 135.2
[M+K]+ 126.03157 121.0
[M+H-H2O]+ 70.065670 109.6
[M+HCOO]- 132.06661 133.7
[M+CH3COO]- 146.08226 158.1
[M+Na-2H]- 108.04308 124.4
[M]+ 87.067861 109.4
[M]- 87.068959 109.4
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