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]+ 261.12338 156.8
[M+Na]+ 283.10532 164.2
[M-H]- 259.10882 160.9
[M+NH4]+ 278.14992 171.2
[M+K]+ 299.07926 160.9
[M+H-H2O]+ 243.11336 148.6
[M+HCOO]- 305.11430 173.7
[M+CH3COO]- 319.12995 168.0
[M+Na-2H]- 281.09077 160.6
[M]+ 260.11555 155.4
[M]- 260.11665 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.