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

13
Patents

216.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.4
[M+Na]+ 239.11549 155.4
[M-H]- 215.11899 151.6
[M+NH4]+ 234.16009 169.6
[M+K]+ 255.08943 150.2
[M+H-H2O]+ 199.12353 141.8
[M+HCOO]- 261.12447 166.0
[M+CH3COO]- 275.14012 159.8
[M+Na-2H]- 237.10094 152.6
[M]+ 216.12572 140.6
[M]- 216.12682 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