CID 3039883

Cpg 191

Structural Information

Molecular Formula
C20H21N
SMILES
C1CC2(CCC1N)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C20H21N/c21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-10,17H,11-14,21H2
InChIKey
SQBNDAGWZHWZDU-UHFFFAOYSA-N
Compound name
spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1674 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17468 165.4
[M+Na]+ 298.15662 178.2
[M+NH4]+ 293.20122 177.0
[M+K]+ 314.13056 168.1
[M-H]- 274.16012 171.8
[M+Na-2H]- 296.14207 174.3
[M]+ 275.16685 169.4
[M]- 275.16795 169.4
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.