CID 299153

5-(propan-2-yl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(C)C1CNC(=O)O1
InChI
InChI=1S/C6H11NO2/c1-4(2)5-3-7-6(8)9-5/h4-5H,3H2,1-2H3,(H,7,8)
InChIKey
JCBPEKUGLIDZQZ-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

129.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.4
[M+Na]+ 152.068198 133.5
[M-H]- 128.071704 127.8
[M+NH4]+ 147.112803 146.9
[M+K]+ 168.042138 133.7
[M+H-H2O]+ 112.076240 121.1
[M+HCOO]- 174.077181 145.6
[M+CH3COO]- 188.092831 168.1
[M+Na-2H]- 150.053646 130.3
[M]+ 129.07843142 124.1
[M]- 129.07952858 124.1
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