CID 38677

3-isoxazolidinone, 2-isopropyl-

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(C)N1C(=O)CCO1
InChI
InChI=1S/C6H11NO2/c1-5(2)7-6(8)3-4-9-7/h5H,3-4H2,1-2H3
InChIKey
OODXRKGBMISMPF-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

129.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 125.3
[M+Na]+ 152.06820 132.8
[M-H]- 128.07170 128.1
[M+NH4]+ 147.11280 146.6
[M+K]+ 168.04214 134.1
[M+H-H2O]+ 112.07624 119.9
[M+HCOO]- 174.07718 146.1
[M+CH3COO]- 188.09283 170.8
[M+Na-2H]- 150.05365 129.8
[M]+ 129.07843 125.0
[M]- 129.07953 125.0
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