CID 13265823

O-quinomethane

Structural Information

Molecular Formula
C7H6O
SMILES
C=C1C=CC=CC1=O
InChI
InChI=1S/C7H6O/c1-6-4-2-3-5-7(6)8/h2-5H,1H2
InChIKey
NSDWWGAIPUNJAX-UHFFFAOYSA-N
Compound name
6-methylidenecyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

216
Patents

106.04186 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.049136 115.6
[M+Na]+ 129.031078 124.5
[M-H]- 105.034584 119.8
[M+NH4]+ 124.075683 138.9
[M+K]+ 145.005018 122.8
[M+H-H2O]+ 89.039120 111.0
[M+HCOO]- 151.040061 140.2
[M+CH3COO]- 165.055711 166.9
[M+Na-2H]- 127.016526 123.6
[M]+ 106.04131142 113.9
[M]- 106.04240858 113.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe