CID 6273162

101077-26-3

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C14H16N2O2/c17-16(18)8-5-11-9-12-3-1-6-15-7-2-4-13(10-11)14(12)15/h5,8-10H,1-4,6-7H2/b8-5+
InChIKey
FPOXYWGMGFOREI-VMPITWQZSA-N
Compound name
7-[(E)-2-nitroethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 152.5
[M+Na]+ 267.11041 165.7
[M+NH4]+ 262.15501 162.0
[M+K]+ 283.08435 160.2
[M-H]- 243.11391 156.3
[M+Na-2H]- 265.09586 156.7
[M]+ 244.12064 155.3
[M]- 244.12174 155.3
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.