CID 12298579

1,4-oxazepan-3-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CNC(=O)COC1
InChI
InChI=1S/C5H9NO2/c7-5-4-8-3-1-2-6-5/h1-4H2,(H,6,7)
InChIKey
YNHIMQYJCDVCEG-UHFFFAOYSA-N
Compound name
1,4-oxazepan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

115.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.0
[M+Na]+ 138.05255 129.7
[M+NH4]+ 133.09715 128.1
[M+K]+ 154.02649 126.9
[M-H]- 114.05605 122.3
[M+Na-2H]- 136.03800 125.5
[M]+ 115.06278 122.4
[M]- 115.06388 122.4
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