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]+ 222.12773 147.6
[M+Na]+ 244.10967 154.9
[M-H]- 220.11317 154.0
[M+NH4]+ 239.15427 166.8
[M+K]+ 260.08361 153.8
[M+H-H2O]+ 204.11771 143.2
[M+HCOO]- 266.11865 169.5
[M+CH3COO]- 280.13430 160.1
[M+Na-2H]- 242.09512 156.0
[M]+ 221.11990 143.9
[M]- 221.12100 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.