CID 125520

1215466-71-9

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1CNCCC1C2=CC(=O)NO2
InChI
InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
InChIKey
YYOYGSTYWVHCJR-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

27
Patents

168.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 134.7
[M+Na]+ 191.079088 141.1
[M-H]- 167.082594 136.2
[M+NH4]+ 186.123693 151.1
[M+K]+ 207.053028 138.8
[M+H-H2O]+ 151.087130 127.4
[M+HCOO]- 213.088071 151.5
[M+CH3COO]- 227.103721 146.4
[M+Na-2H]- 189.064536 139.2
[M]+ 168.08932142 128.5
[M]- 168.09041858 128.5
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