CID 556333

1073-14-9

Structural Information

Molecular Formula
C8H10O
SMILES
CC1(C=CC(=O)C=C1)C
InChI
InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
YKDJBIPPVNMAGR-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

122.073166 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 121.1
[M+Na]+ 145.062384 130.1
[M-H]- 121.065890 125.4
[M+NH4]+ 140.106989 145.8
[M+K]+ 161.036324 129.0
[M+H-H2O]+ 105.070426 117.0
[M+HCOO]- 167.071367 145.1
[M+CH3COO]- 181.087017 170.5
[M+Na-2H]- 143.047832 129.5
[M]+ 122.07261742 120.7
[M]- 122.07371458 120.7
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.