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 165.6
[M+Na]+ 298.15662 171.5
[M-H]- 274.16012 173.1
[M+NH4]+ 293.20122 184.3
[M+K]+ 314.13056 168.3
[M+H-H2O]+ 258.16466 159.4
[M+HCOO]- 320.16560 183.2
[M+CH3COO]- 334.18125 176.0
[M+Na-2H]- 296.14207 172.2
[M]+ 275.16685 157.4
[M]- 275.16795 157.4
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

patents stripe