CID 86277737

4-bromospiro[indoline-3,4'-piperidin]-2-one

Structural Information

Molecular Formula
C12H13BrN2O
SMILES
C1CNCCC12C3=C(C=CC=C3Br)NC2=O
InChI
InChI=1S/C12H13BrN2O/c13-8-2-1-3-9-10(8)12(11(16)15-9)4-6-14-7-5-12/h1-3,14H,4-7H2,(H,15,16)
InChIKey
OQQNBKGMVNNMCD-UHFFFAOYSA-N
Compound name
4-bromospiro[1H-indole-3,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.02112 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02840 161.7
[M+Na]+ 303.01034 163.5
[M+NH4]+ 298.05494 167.5
[M+K]+ 318.98428 162.8
[M-H]- 279.01384 161.6
[M+Na-2H]- 300.99579 163.5
[M]+ 280.02057 160.7
[M]- 280.02167 160.7
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.