CID 118600767

(4r)-4-methyl-1,3-oxazinan-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C[C@@H]1CCOC(=O)N1
InChI
InChI=1S/C5H9NO2/c1-4-2-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m1/s1
InChIKey
ULPCODYRJFRNLR-SCSAIBSYSA-N
Compound name
(4R)-4-methyl-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

115.06333 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.2
[M+Na]+ 138.052548 128.1
[M-H]- 114.056054 122.5
[M+NH4]+ 133.097153 140.5
[M+K]+ 154.026488 128.2
[M+H-H2O]+ 98.060590 115.7
[M+HCOO]- 160.061531 139.7
[M+CH3COO]- 174.077181 164.5
[M+Na-2H]- 136.037996 128.3
[M]+ 115.06278142 117.2
[M]- 115.06387858 117.2
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