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 157.6
[M+Na]+ 264.17226 162.7
[M-H]- 240.17576 160.8
[M+NH4]+ 259.21686 177.4
[M+K]+ 280.14620 160.4
[M+H-H2O]+ 224.18030 152.3
[M+HCOO]- 286.18124 173.1
[M+CH3COO]- 300.19689 168.1
[M+Na-2H]- 262.15771 160.0
[M]+ 241.18249 153.1
[M]- 241.18359 153.1
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.