CID 361597

Nsc624778

Structural Information

Molecular Formula
C14H12O2
SMILES
C1CC2=C3C(=CC=C2)OC4=C3C1CCC4=O
InChI
InChI=1S/C14H12O2/c15-10-7-6-9-5-4-8-2-1-3-11-12(8)13(9)14(10)16-11/h1-3,9H,4-7H2
InChIKey
RYMIWDUWKDQNBA-UHFFFAOYSA-N
Compound name
15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),8(13),9,11-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 141.3
[M+Na]+ 235.072938 150.5
[M-H]- 211.076444 147.1
[M+NH4]+ 230.117543 164.3
[M+K]+ 251.046878 147.3
[M+H-H2O]+ 195.080980 135.6
[M+HCOO]- 257.081921 159.8
[M+CH3COO]- 271.097571 155.0
[M+Na-2H]- 233.058386 149.6
[M]+ 212.08317142 143.2
[M]- 212.08426858 143.2
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.