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]+ 214.159026 148.5
[M+Na]+ 236.140968 154.6
[M-H]- 212.144474 151.9
[M+NH4]+ 231.185573 169.3
[M+K]+ 252.114908 152.2
[M+H-H2O]+ 196.149010 143.3
[M+HCOO]- 258.149951 165.5
[M+CH3COO]- 272.165601 159.9
[M+Na-2H]- 234.126416 153.0
[M]+ 213.15120142 144.0
[M]- 213.15229858 144.0
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.