CID 3042088

59081-64-0

Structural Information

Molecular Formula
C14H19N
SMILES
CN1CCC2CC(C1)CC3=CC=CC=C23
InChI
InChI=1S/C14H19N/c1-15-7-6-13-9-11(10-15)8-12-4-2-3-5-14(12)13/h2-5,11,13H,6-10H2,1H3
InChIKey
HAFOCRMCQBVAMT-UHFFFAOYSA-N
Compound name
11-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

201.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 142.8
[M+Na]+ 224.140968 148.1
[M-H]- 200.144474 145.9
[M+NH4]+ 219.185573 162.3
[M+K]+ 240.114908 147.2
[M+H-H2O]+ 184.149010 137.4
[M+HCOO]- 246.149951 157.9
[M+CH3COO]- 260.165601 154.0
[M+Na-2H]- 222.126416 149.8
[M]+ 201.15120142 136.6
[M]- 201.15229858 136.6
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