CID 11658668

Schembl20066137

Structural Information

Molecular Formula
C14H15NO2
SMILES
CN1C2=CC=CC=C2C3(C1=O)CCC(=O)CC3
InChI
InChI=1S/C14H15NO2/c1-15-12-5-3-2-4-11(12)14(13(15)17)8-6-10(16)7-9-14/h2-5H,6-9H2,1H3
InChIKey
UENSDENWNDIVAT-UHFFFAOYSA-N
Compound name
1'-methylspiro[cyclohexane-4,3'-indole]-1,2'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

229.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 150.9
[M+Na]+ 252.09950 159.8
[M-H]- 228.10300 156.3
[M+NH4]+ 247.14410 173.0
[M+K]+ 268.07344 155.6
[M+H-H2O]+ 212.10754 144.2
[M+HCOO]- 274.10848 169.6
[M+CH3COO]- 288.12413 163.6
[M+Na-2H]- 250.08495 154.8
[M]+ 229.10973 147.9
[M]- 229.11083 147.9
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.