CID 10683

Allomethadione

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC1C(=O)N(C(=O)O1)CC=C
InChI
InChI=1S/C7H9NO3/c1-3-4-8-6(9)5(2)11-7(8)10/h3,5H,1,4H2,2H3
InChIKey
XWZXRENCCHMZNF-UHFFFAOYSA-N
Compound name
5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1177
Patents

155.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 128.2
[M+Na]+ 178.047458 138.0
[M-H]- 154.050964 131.6
[M+NH4]+ 173.092063 148.9
[M+K]+ 194.021398 137.7
[M+H-H2O]+ 138.055500 123.2
[M+HCOO]- 200.056441 150.3
[M+CH3COO]- 214.072091 175.7
[M+Na-2H]- 176.032906 132.3
[M]+ 155.05769142 129.7
[M]- 155.05878858 129.7
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