CID 91443217

Rac-(1r,8s)-9-azatricyclo[6.2.2.0,2,7]dodeca-2,4,6-triene hydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
C1C[C@H]2C3=CC=CC=C3[C@@H]1CN2
InChI
InChI=1S/C11H13N/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8/h1-4,8,11-12H,5-7H2/t8-,11-/m0/s1
InChIKey
PWDGMCPUUAQNLI-KWQFWETISA-N
Compound name
(1R,8S)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 130.4
[M+Na]+ 182.094018 135.2
[M-H]- 158.097524 127.3
[M+NH4]+ 177.138623 153.7
[M+K]+ 198.067958 131.2
[M+H-H2O]+ 142.102060 124.2
[M+HCOO]- 204.103001 141.5
[M+CH3COO]- 218.118651 141.2
[M+Na-2H]- 180.079466 143.0
[M]+ 159.10425142 128.4
[M]- 159.10534858 128.4
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

patents stripe