CID 108277

Dtxsid20970251

Structural Information

Molecular Formula
C15H19N
SMILES
C=CCN1CC2CCC(C1)C3=CC=CC=C23
InChI
InChI=1S/C15H19N/c1-2-9-16-10-12-7-8-13(11-16)15-6-4-3-5-14(12)15/h2-6,12-13H,1,7-11H2
InChIKey
GVANDLJZUQOPMA-UHFFFAOYSA-N
Compound name
10-prop-2-enyl-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 156.9
[M+Na]+ 236.140968 165.2
[M-H]- 212.144474 159.4
[M+NH4]+ 231.185573 176.7
[M+K]+ 252.114908 160.4
[M+H-H2O]+ 196.149010 156.6
[M+HCOO]- 258.149951 168.3
[M+CH3COO]- 272.165601 166.6
[M+Na-2H]- 234.126416 165.7
[M]+ 213.15120142 155.4
[M]- 213.15229858 155.4
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.