CID 208163

5h-dibenzo(a,d)cycloheptene, 5-amino-

Structural Information

Molecular Formula
C15H13N
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)N
InChI
InChI=1S/C15H13N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15H,16H2
InChIKey
HKLYXHWNPAGMMW-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

207.1048 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 143.4
[M+Na]+ 230.09402 156.8
[M+NH4]+ 225.13862 153.5
[M+K]+ 246.06796 149.5
[M-H]- 206.09752 148.5
[M+Na-2H]- 228.07947 152.0
[M]+ 207.10425 147.0
[M]- 207.10535 147.0
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