CID 116372

64047-03-6

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCCCCC1(C(=O)NC(=O)O1)C
InChI
InChI=1S/C9H15NO3/c1-3-4-5-6-9(2)7(11)10-8(12)13-9/h3-6H2,1-2H3,(H,10,11,12)
InChIKey
SHMZIDMBSDUOSR-UHFFFAOYSA-N
Compound name
5-methyl-5-pentyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 138.4
[M+Na]+ 208.09442 146.5
[M-H]- 184.09792 140.0
[M+NH4]+ 203.13902 159.0
[M+K]+ 224.06836 145.7
[M+H-H2O]+ 168.10246 133.9
[M+HCOO]- 230.10340 158.1
[M+CH3COO]- 244.11905 178.3
[M+Na-2H]- 206.07987 142.9
[M]+ 185.10465 139.5
[M]- 185.10575 139.5
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

No patent data available for this compound.