CID 62374

1125-21-9

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC(=O)CC(C1=O)(C)C
InChI
InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey
AYJXHIDNNLJQDT-UHFFFAOYSA-N
Compound name
2,6,6-trimethylcyclohex-2-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

26
References

2039
Patents

152.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 126.6
[M+Na]+ 175.07294 136.3
[M-H]- 151.07644 131.2
[M+NH4]+ 170.11754 150.6
[M+K]+ 191.04688 135.1
[M+H-H2O]+ 135.08098 122.9
[M+HCOO]- 197.08192 149.3
[M+CH3COO]- 211.09757 177.3
[M+Na-2H]- 173.05839 132.5
[M]+ 152.08317 126.8
[M]- 152.08427 126.8
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.