CID 131752356

2-(2-hydroxy-1,3,3-trimethyl-4-oxocyclopentyl)-5-methylcyclohexa-2,5-diene-1,4-dione

Structural Information

Molecular Formula
C15H18O4
SMILES
CC1=CC(=O)C(=CC1=O)C2(CC(=O)C(C2O)(C)C)C
InChI
InChI=1S/C15H18O4/c1-8-5-11(17)9(6-10(8)16)15(4)7-12(18)14(2,3)13(15)19/h5-6,13,19H,7H2,1-4H3
InChIKey
KHRRUNIMAKHJPR-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-1,3,3-trimethyl-4-oxocyclopentyl)-5-methylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 157.3
[M+Na]+ 285.10972 168.3
[M+NH4]+ 280.15432 166.7
[M+K]+ 301.08366 161.5
[M-H]- 261.11322 158.8
[M+Na-2H]- 283.09517 163.5
[M]+ 262.11995 159.4
[M]- 262.12105 159.4
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

No patent data available for this compound.