CID 15187162

1,2-dihydrospiro[indole-3,2'-oxiran]-2-one

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1C2(O1)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C9H7NO2/c11-8-9(5-12-9)6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H,10,11)
InChIKey
CAKLDVBKFYKIQK-UHFFFAOYSA-N
Compound name
spiro[1H-indole-3,2'-oxirane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 133.7
[M+Na]+ 184.036898 145.8
[M-H]- 160.040404 139.8
[M+NH4]+ 179.081503 151.5
[M+K]+ 200.010838 143.2
[M+H-H2O]+ 144.044940 128.3
[M+HCOO]- 206.045881 153.9
[M+CH3COO]- 220.061531 147.7
[M+Na-2H]- 182.022346 142.6
[M]+ 161.04713142 135.8
[M]- 161.04822858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe