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]+ 190.15903 145.2
[M+Na]+ 212.14097 151.1
[M-H]- 188.14447 149.9
[M+NH4]+ 207.18557 169.8
[M+K]+ 228.11491 147.7
[M+H-H2O]+ 172.14901 137.6
[M+HCOO]- 234.14995 162.7
[M+CH3COO]- 248.16560 157.2
[M+Na-2H]- 210.12642 150.7
[M]+ 189.15120 139.1
[M]- 189.15230 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.