CID 86276699

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

Structural Information

Molecular Formula
C12H13BrN2O
SMILES
C1CNCCC12C3=C(C(=CC=C3)Br)NC2=O
InChI
InChI=1S/C12H13BrN2O/c13-9-3-1-2-8-10(9)15-11(16)12(8)4-6-14-7-5-12/h1-3,14H,4-7H2,(H,15,16)
InChIKey
QPBXODOBNQNOOF-UHFFFAOYSA-N
Compound name
7-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 158.1
[M+Na]+ 303.01034 168.7
[M-H]- 279.01384 161.9
[M+NH4]+ 298.05494 178.8
[M+K]+ 318.98428 155.6
[M+H-H2O]+ 263.01838 158.0
[M+HCOO]- 325.01932 171.0
[M+CH3COO]- 339.03497 170.4
[M+Na-2H]- 300.99579 163.5
[M]+ 280.02057 169.7
[M]- 280.02167 169.7
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.