CID 79876

Propazone sodium

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCCC1(C(=O)NC(=O)O1)CCC
InChI
InChI=1S/C9H15NO3/c1-3-5-9(6-4-2)7(11)10-8(12)13-9/h3-6H2,1-2H3,(H,10,11,12)
InChIKey
BVTOXVHDKWVNBF-UHFFFAOYSA-N
Compound name
5,5-dipropyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

185.1052 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe