CID 3039895

Spiro(5h-dibenzo(a,d)cycloheptene-5,1'-cyclopentan)-3'-amine, hydrochloride

Structural Information

Molecular Formula
C19H19N
SMILES
C1CC2(CC1N)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C19H19N/c20-16-11-12-19(13-16)17-7-3-1-5-14(17)9-10-15-6-2-4-8-18(15)19/h1-10,16H,11-13,20H2
InChIKey
WNRJYOYBBBGYFE-UHFFFAOYSA-N
Compound name
spiro[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

2
Patents

261.15176 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.159036 162.8
[M+Na]+ 284.140978 170.0
[M-H]- 260.144484 171.1
[M+NH4]+ 279.185583 184.0
[M+K]+ 300.114918 166.2
[M+H-H2O]+ 244.149020 157.3
[M+HCOO]- 306.149961 182.9
[M+CH3COO]- 320.165611 174.3
[M+Na-2H]- 282.126426 168.1
[M]+ 261.15121142 156.4
[M]- 261.15230858 156.4
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

patents stripe