CID 361608

Nsc624793

Structural Information

Molecular Formula
C15H14O2
SMILES
CCC1=C2C=CC=CC3=C(C=CC(=C32)O1)OC
InChI
InChI=1S/C15H14O2/c1-3-12-10-6-4-5-7-11-13(16-2)8-9-14(17-12)15(10)11/h4-9H,3H2,1-2H3
InChIKey
CHAVGDBTMCKJIS-UHFFFAOYSA-N
Compound name
2-ethyl-7-methoxy-3-oxatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09938 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 147.9
[M+Na]+ 249.08860 158.0
[M-H]- 225.09210 155.9
[M+NH4]+ 244.13320 168.7
[M+K]+ 265.06254 158.8
[M+H-H2O]+ 209.09664 144.5
[M+HCOO]- 271.09758 171.3
[M+CH3COO]- 285.11323 162.4
[M+Na-2H]- 247.07405 156.0
[M]+ 226.09883 152.8
[M]- 226.09993 152.8
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.