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]+ 176.143376 142.1
[M+Na]+ 198.125318 147.1
[M-H]- 174.128824 145.2
[M+NH4]+ 193.169923 166.2
[M+K]+ 214.099258 143.1
[M+H-H2O]+ 158.133360 134.7
[M+HCOO]- 220.134301 158.5
[M+CH3COO]- 234.149951 153.5
[M+Na-2H]- 196.110766 148.4
[M]+ 175.13555142 133.5
[M]- 175.13664858 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.