CID 366027

Nsc634202

Structural Information

Molecular Formula
C15H19NO2
SMILES
COC(=O)N1CC2CCCC(C2)C3=CC=CC=C31
InChI
InChI=1S/C15H19NO2/c1-18-15(17)16-10-11-5-4-6-12(9-11)13-7-2-3-8-14(13)16/h2-3,7-8,11-12H,4-6,9-10H2,1H3
InChIKey
OJIPOKORUUNILE-UHFFFAOYSA-N
Compound name
methyl 8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6-triene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 152.5
[M+Na]+ 268.130808 157.4
[M-H]- 244.134314 155.6
[M+NH4]+ 263.175413 170.2
[M+K]+ 284.104748 157.7
[M+H-H2O]+ 228.138850 146.9
[M+HCOO]- 290.139791 166.9
[M+CH3COO]- 304.155441 163.0
[M+Na-2H]- 266.116256 158.1
[M]+ 245.14104142 148.1
[M]- 245.14213858 148.1
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.