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

3
Patents

275.1674 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.174676 165.6
[M+Na]+ 298.156618 171.5
[M-H]- 274.160124 173.1
[M+NH4]+ 293.201223 184.3
[M+K]+ 314.130558 168.3
[M+H-H2O]+ 258.164660 159.4
[M+HCOO]- 320.165601 183.2
[M+CH3COO]- 334.181251 176.0
[M+Na-2H]- 296.142066 172.2
[M]+ 275.16685142 157.4
[M]- 275.16794858 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