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]+ 246.14887 152.5
[M+Na]+ 268.13081 157.4
[M-H]- 244.13431 155.6
[M+NH4]+ 263.17541 170.2
[M+K]+ 284.10475 157.7
[M+H-H2O]+ 228.13885 146.9
[M+HCOO]- 290.13979 166.9
[M+CH3COO]- 304.15544 163.0
[M+Na-2H]- 266.11626 158.1
[M]+ 245.14104 148.1
[M]- 245.14214 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.