CID 205275

4a,8a-(methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-10-methyl-, hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CN1CC23CC=CCC2(C1)CC=CC3
InChI
InChI=1S/C13H19N/c1-14-10-12-6-2-3-7-13(12,11-14)9-5-4-8-12/h2-5H,6-11H2,1H3
InChIKey
LWWJEUDYPMYYSW-UHFFFAOYSA-N
Compound name
12-methyl-12-azatricyclo[4.4.3.01,6]trideca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.2
[M+Na]+ 212.140968 151.1
[M-H]- 188.144474 149.9
[M+NH4]+ 207.185573 169.8
[M+K]+ 228.114908 147.7
[M+H-H2O]+ 172.149010 137.6
[M+HCOO]- 234.149951 162.7
[M+CH3COO]- 248.165601 157.2
[M+Na-2H]- 210.126416 150.7
[M]+ 189.15120142 139.1
[M]- 189.15229858 139.1
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.