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

4
Patents

201.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15903 142.8
[M+Na]+ 224.14097 148.1
[M-H]- 200.14447 145.9
[M+NH4]+ 219.18557 162.3
[M+K]+ 240.11491 147.2
[M+H-H2O]+ 184.14901 137.4
[M+HCOO]- 246.14995 157.9
[M+CH3COO]- 260.16560 154.0
[M+Na-2H]- 222.12642 149.8
[M]+ 201.15120 136.6
[M]- 201.15230 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