CID 11615676

Schembl30666913

Structural Information

Molecular Formula
C15H17NO2
SMILES
CCN1C2=CC=CC=C2C3(C1=O)CCC(=O)CC3
InChI
InChI=1S/C15H17NO2/c1-2-16-13-6-4-3-5-12(13)15(14(16)18)9-7-11(17)8-10-15/h3-6H,2,7-10H2,1H3
InChIKey
FUWNOQXPSHMYHR-UHFFFAOYSA-N
Compound name
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

243.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.5
[M+Na]+ 266.11515 163.9
[M-H]- 242.11865 160.7
[M+NH4]+ 261.15975 177.0
[M+K]+ 282.08909 159.5
[M+H-H2O]+ 226.12319 148.6
[M+HCOO]- 288.12413 173.8
[M+CH3COO]- 302.13978 167.7
[M+Na-2H]- 264.10060 158.8
[M]+ 243.12538 152.8
[M]- 243.12648 152.8
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.