CID 205279

4a,8a-(methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
C1C=CCC23C1(CC=CC2)CNC3
InChI
InChI=1S/C12H17N/c1-2-6-12-8-4-3-7-11(12,5-1)9-13-10-12/h1-4,13H,5-10H2
InChIKey
XTGHGASNCTVJFM-UHFFFAOYSA-N
Compound name
12-azatricyclo[4.4.3.01,6]trideca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 142.1
[M+Na]+ 198.12532 147.1
[M-H]- 174.12882 145.2
[M+NH4]+ 193.16992 166.2
[M+K]+ 214.09926 143.1
[M+H-H2O]+ 158.13336 134.7
[M+HCOO]- 220.13430 158.5
[M+CH3COO]- 234.14995 153.5
[M+Na-2H]- 196.11077 148.4
[M]+ 175.13555 133.5
[M]- 175.13665 133.5
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

No patent data available for this compound.