CID 391461

Nsc690666

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C14H16N2O3/c17-12(9-16-6-2-1-3-7-16)10-4-5-11-13(8-10)19-14(18)15-11/h4-5,8H,1-3,6-7,9H2,(H,15,18)
InChIKey
SNLDRRAMWXXMKI-UHFFFAOYSA-N
Compound name
6-(2-piperidin-1-ylacetyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 156.8
[M+Na]+ 283.105318 164.2
[M-H]- 259.108824 160.9
[M+NH4]+ 278.149923 171.2
[M+K]+ 299.079258 160.9
[M+H-H2O]+ 243.113360 148.6
[M+HCOO]- 305.114301 173.7
[M+CH3COO]- 319.129951 168.0
[M+Na-2H]- 281.090766 160.6
[M]+ 260.11555142 155.4
[M]- 260.11664858 155.4
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.