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

9
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

literature stripe

Patent stripe

patents stripe