CID 3059565

76777-07-6

Structural Information

Molecular Formula
C17H23N
SMILES
CC(=CCN1CCCC2CC1C3=CC=CC=C23)C
InChI
InChI=1S/C17H23N/c1-13(2)9-11-18-10-5-6-14-12-17(18)16-8-4-3-7-15(14)16/h3-4,7-9,14,17H,5-6,10-12H2,1-2H3
InChIKey
ZJYDZVFRQQXIHX-UHFFFAOYSA-N
Compound name
9-(3-methylbut-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

241.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 155.5
[M+Na]+ 264.17226 165.0
[M+NH4]+ 259.21686 164.4
[M+K]+ 280.14620 160.3
[M-H]- 240.17576 157.0
[M+Na-2H]- 262.15771 158.2
[M]+ 241.18249 157.3
[M]- 241.18359 157.3
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.