CID 3039887

51359-99-0

Structural Information

Molecular Formula
C20H21N
SMILES
CNC1CCC2(C1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C20H21N/c1-21-17-12-13-20(14-17)18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-11,17,21H,12-14H2,1H3
InChIKey
NOEZBIUJJYKSRD-UHFFFAOYSA-N
Compound name
N-methylspiro[cyclopentane-3,2'-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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.174676 166.9
[M+Na]+ 298.156618 173.7
[M-H]- 274.160124 175.5
[M+NH4]+ 293.201223 187.8
[M+K]+ 314.130558 169.8
[M+H-H2O]+ 258.164660 161.2
[M+HCOO]- 320.165601 187.2
[M+CH3COO]- 334.181251 178.2
[M+Na-2H]- 296.142066 172.5
[M]+ 275.16685142 161.7
[M]- 275.16794858 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.