CID 54740332

6-(4-methyl-2-oxopentyl)-4-hydroxy-2-pyrone

Structural Information

Molecular Formula
C11H14O4
SMILES
CC(C)CC(=O)CC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C11H14O4/c1-7(2)3-8(12)4-10-5-9(13)6-11(14)15-10/h5-7,13H,3-4H2,1-2H3
InChIKey
GACVANPZCDHOHT-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

210.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 143.3
[M+Na]+ 233.07842 151.3
[M-H]- 209.08192 146.8
[M+NH4]+ 228.12302 160.4
[M+K]+ 249.05236 150.9
[M+H-H2O]+ 193.08646 137.7
[M+HCOO]- 255.08740 164.2
[M+CH3COO]- 269.10305 185.4
[M+Na-2H]- 231.06387 147.2
[M]+ 210.08865 146.7
[M]- 210.08975 146.7
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

patents stripe