CID 21117781

Ns00048173

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CCC(C)N1CC(=O)ON1
InChI
InChI=1S/C6H12N2O2/c1-3-5(2)8-4-6(9)10-7-8/h5,7H,3-4H2,1-2H3
InChIKey
JJQQBAOLCFGQJG-UHFFFAOYSA-N
Compound name
3-butan-2-yloxadiazolidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.0
[M+Na]+ 167.079088 138.0
[M-H]- 143.082594 130.8
[M+NH4]+ 162.123693 149.5
[M+K]+ 183.053028 138.2
[M+H-H2O]+ 127.087130 124.6
[M+HCOO]- 189.088071 148.8
[M+CH3COO]- 203.103721 170.9
[M+Na-2H]- 165.064536 134.6
[M]+ 144.08932142 129.2
[M]- 144.09041858 129.2
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.