CID 3038438

Brn 2049683

Structural Information

Molecular Formula
C12H12O2
SMILES
C1CC2=CC=CC=C2C(=O)/C(=C\O)/C1
InChI
InChI=1S/C12H12O2/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-2,4,7-8,13H,3,5-6H2/b10-8-
InChIKey
QAQKFPLTAXDACH-NTMALXAHSA-N
Compound name
(6Z)-6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 137.4
[M+Na]+ 211.07294 148.0
[M+NH4]+ 206.11754 145.4
[M+K]+ 227.04688 142.9
[M-H]- 187.07644 139.2
[M+Na-2H]- 209.05839 142.9
[M]+ 188.08317 139.3
[M]- 188.08427 139.3
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.