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 148.5
[M+Na]+ 236.14097 154.6
[M-H]- 212.14447 151.9
[M+NH4]+ 231.18557 169.3
[M+K]+ 252.11491 152.2
[M+H-H2O]+ 196.14901 143.3
[M+HCOO]- 258.14995 165.5
[M+CH3COO]- 272.16560 159.9
[M+Na-2H]- 234.12642 153.0
[M]+ 213.15120 144.0
[M]- 213.15230 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.