CID 366026

Nsc634201

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC(=O)N1CC2CC=CC(C2)C3=CC=CC=C31
InChI
InChI=1S/C15H17NO2/c1-18-15(17)16-10-11-5-4-6-12(9-11)13-7-2-3-8-14(13)16/h2-4,6-8,11-12H,5,9-10H2,1H3
InChIKey
PDDQMTVMBUFLKD-UHFFFAOYSA-N
Compound name
methyl 8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,12-tetraene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 151.5
[M+Na]+ 266.11515 157.4
[M-H]- 242.11865 155.1
[M+NH4]+ 261.15975 169.5
[M+K]+ 282.08909 157.7
[M+H-H2O]+ 226.12319 146.1
[M+HCOO]- 288.12413 167.4
[M+CH3COO]- 302.13978 162.6
[M+Na-2H]- 264.10060 158.1
[M]+ 243.12538 148.5
[M]- 243.12648 148.5
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.