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

78
Patents

129.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.4
[M+Na]+ 152.06820 133.5
[M-H]- 128.07170 127.8
[M+NH4]+ 147.11280 146.9
[M+K]+ 168.04214 133.7
[M+H-H2O]+ 112.07624 121.1
[M+HCOO]- 174.07718 145.6
[M+CH3COO]- 188.09283 168.1
[M+Na-2H]- 150.05365 130.3
[M]+ 129.07843 124.1
[M]- 129.07953 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