CID 244378

Tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaen-15-amine

Structural Information

Molecular Formula
C16H15N
SMILES
C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)N
InChI
InChI=1S/C16H15N/c17-15-9-14-10-5-1-3-7-12(10)16(15)13-8-4-2-6-11(13)14/h1-8,14-16H,9,17H2
InChIKey
URRYLKCWJQMOQX-UHFFFAOYSA-N
Compound name
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

221.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 145.2
[M+Na]+ 244.10967 151.0
[M-H]- 220.11317 147.4
[M+NH4]+ 239.15427 167.8
[M+K]+ 260.08361 145.8
[M+H-H2O]+ 204.11771 137.8
[M+HCOO]- 266.11865 159.7
[M+CH3COO]- 280.13430 156.3
[M+Na-2H]- 242.09512 156.2
[M]+ 221.11990 144.5
[M]- 221.12100 144.5
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.