CID 494921

Nsc637038

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CC2COC(=O)C3=CC=CC=C3CN2C1
InChI
InChI=1S/C13H15NO2/c15-13-12-6-2-1-4-10(12)8-14-7-3-5-11(14)9-16-13/h1-2,4,6,11H,3,5,7-9H2
InChIKey
BUNZKGKRHRMFEQ-UHFFFAOYSA-N
Compound name
9-oxa-3-azatricyclo[9.4.0.03,7]pentadeca-1(15),11,13-trien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 159.4
[M+Na]+ 240.09950 164.4
[M-H]- 216.10300 161.5
[M+NH4]+ 235.14410 168.2
[M+K]+ 256.07344 164.2
[M+H-H2O]+ 200.10754 155.3
[M+HCOO]- 262.10848 166.9
[M+CH3COO]- 276.12413 164.0
[M+Na-2H]- 238.08495 159.2
[M]+ 217.10973 158.2
[M]- 217.11083 158.2
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.