CID 12888301

4933-14-6

Structural Information

Molecular Formula
C13H15NO
SMILES
C1CCC2(CC1)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H15NO/c15-12-13(8-4-1-5-9-13)10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChIKey
LLHRWZOIAVWPKH-UHFFFAOYSA-N
Compound name
spiro[1H-indole-3,1'-cyclohexane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

201.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 145.8
[M+Na]+ 224.10459 152.6
[M-H]- 200.10809 149.2
[M+NH4]+ 219.14919 167.8
[M+K]+ 240.07853 147.8
[M+H-H2O]+ 184.11263 139.0
[M+HCOO]- 246.11357 162.9
[M+CH3COO]- 260.12922 157.5
[M+Na-2H]- 222.09004 150.9
[M]+ 201.11482 139.1
[M]- 201.11592 139.1
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