CID 110721

4-(4-aminobutyl)oxazolidine-2,5-dione

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C(CCN)CC1C(=O)OC(=O)N1
InChI
InChI=1S/C7H12N2O3/c8-4-2-1-3-5-6(10)12-7(11)9-5/h5H,1-4,8H2,(H,9,11)
InChIKey
FCATYYOPYTXOIZ-UHFFFAOYSA-N
Compound name
4-(4-aminobutyl)-1,3-oxazolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.0848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 136.2
[M+Na]+ 195.074018 143.3
[M-H]- 171.077524 137.1
[M+NH4]+ 190.118623 154.5
[M+K]+ 211.047958 142.1
[M+H-H2O]+ 155.082060 130.2
[M+HCOO]- 217.083001 156.8
[M+CH3COO]- 231.098651 177.1
[M+Na-2H]- 193.059466 139.5
[M]+ 172.08425142 134.3
[M]- 172.08534858 134.3
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