CID 3065050

106487-32-5

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C1CC(CNC1)C2=C3CC(=O)NC3=C(C=C2)O
InChI
InChI=1S/C13H16N2O2/c16-11-4-3-9(8-2-1-5-14-7-8)10-6-12(17)15-13(10)11/h3-4,8,14,16H,1-2,5-7H2,(H,15,17)
InChIKey
NQZIIPXLHPNRJO-UHFFFAOYSA-N
Compound name
7-hydroxy-4-piperidin-3-yl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.5
[M+Na]+ 255.11041 159.5
[M-H]- 231.11391 153.9
[M+NH4]+ 250.15501 169.3
[M+K]+ 271.08435 153.6
[M+H-H2O]+ 215.11845 146.2
[M+HCOO]- 277.11939 166.5
[M+CH3COO]- 291.13504 163.1
[M+Na-2H]- 253.09586 154.9
[M]+ 232.12064 145.0
[M]- 232.12174 145.0
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