CID 162589

2h-pyran-2-one, 4-methyl-6-(1-methylethyl)-

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC(=O)OC(=C1)C(C)C
InChI
InChI=1S/C9H12O2/c1-6(2)8-4-7(3)5-9(10)11-8/h4-6H,1-3H3
InChIKey
YYWNAZJLTICGGQ-UHFFFAOYSA-N
Compound name
4-methyl-6-propan-2-ylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

15
Patents

152.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 127.9
[M+Na]+ 175.07294 137.4
[M-H]- 151.07644 133.1
[M+NH4]+ 170.11754 148.5
[M+K]+ 191.04688 137.5
[M+H-H2O]+ 135.08098 122.9
[M+HCOO]- 197.08192 151.4
[M+CH3COO]- 211.09757 177.6
[M+Na-2H]- 173.05839 134.7
[M]+ 152.08317 130.9
[M]- 152.08427 130.9
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.