CID 20587895

5'-amino-spiro[cyclohexane-1,3'-indolin]-2'-one

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CCC2(CC1)C3=C(C=CC(=C3)N)NC2=O
InChI
InChI=1S/C13H16N2O/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7,14H2,(H,15,16)
InChIKey
HQQMWMAGFGCMAK-UHFFFAOYSA-N
Compound name
5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.4
[M+Na]+ 239.115488 155.4
[M-H]- 215.118994 151.6
[M+NH4]+ 234.160093 169.6
[M+K]+ 255.089428 150.2
[M+H-H2O]+ 199.123530 141.8
[M+HCOO]- 261.124471 166.0
[M+CH3COO]- 275.140121 159.8
[M+Na-2H]- 237.100936 152.6
[M]+ 216.12572142 140.6
[M]- 216.12681858 140.6
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

patents stripe