CID 3059563

76777-05-4

Structural Information

Molecular Formula
C15H19N
SMILES
C=CCN1CCCC2CC1C3=CC=CC=C23
InChI
InChI=1S/C15H19N/c1-2-9-16-10-5-6-12-11-15(16)14-8-4-3-7-13(12)14/h2-4,7-8,12,15H,1,5-6,9-11H2
InChIKey
YJZNRSFQIRJKSX-UHFFFAOYSA-N
Compound name
9-prop-2-enyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.15903 147.1
[M+Na]+ 236.14097 157.3
[M+NH4]+ 231.18557 156.4
[M+K]+ 252.11491 152.2
[M-H]- 212.14447 148.8
[M+Na-2H]- 234.12642 150.5
[M]+ 213.15120 149.0
[M]- 213.15230 149.0
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.