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]+ 213.09100 141.3
[M+Na]+ 235.07294 150.5
[M-H]- 211.07644 147.1
[M+NH4]+ 230.11754 164.3
[M+K]+ 251.04688 147.3
[M+H-H2O]+ 195.08098 135.6
[M+HCOO]- 257.08192 159.8
[M+CH3COO]- 271.09757 155.0
[M+Na-2H]- 233.05839 149.6
[M]+ 212.08317 143.2
[M]- 212.08427 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.