CID 209436

5h-dibenzo(a,d)cycloheptene-5-methylamine, hydrochloride

Structural Information

Molecular Formula
C16H15N
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)CN
InChI
InChI=1S/C16H15N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-10,16H,11,17H2
InChIKey
BKZVRYQHIBSITO-UHFFFAOYSA-N
Compound name
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

221.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.127726 147.6
[M+Na]+ 244.109668 154.9
[M-H]- 220.113174 154.0
[M+NH4]+ 239.154273 166.8
[M+K]+ 260.083608 153.8
[M+H-H2O]+ 204.117710 143.2
[M+HCOO]- 266.118651 169.5
[M+CH3COO]- 280.134301 160.1
[M+Na-2H]- 242.095116 156.0
[M]+ 221.11990142 143.9
[M]- 221.12099858 143.9
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