CID 637771

4,4-dimethyloxazolidine-2,5-dione

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC1(C(=O)OC(=O)N1)C
InChI
InChI=1S/C5H7NO3/c1-5(2)3(7)9-4(8)6-5/h1-2H3,(H,6,8)
InChIKey
TXJRWSIEXLAIGU-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,3-oxazolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

129.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 120.0
[M+Na]+ 152.03181 129.9
[M-H]- 128.03531 122.3
[M+NH4]+ 147.07641 142.9
[M+K]+ 168.00575 130.0
[M+H-H2O]+ 112.03985 116.2
[M+HCOO]- 174.04079 141.1
[M+CH3COO]- 188.05644 166.2
[M+Na-2H]- 150.01726 126.7
[M]+ 129.04204 119.6
[M]- 129.04314 119.6
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