CID 23533542

3,3-dimethyldihydro-2h-pyran-4(3h)-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(COCCC1=O)C
InChI
InChI=1S/C7H12O2/c1-7(2)5-9-4-3-6(7)8/h3-5H2,1-2H3
InChIKey
BNTLPZXIKVNRMC-UHFFFAOYSA-N
Compound name
3,3-dimethyloxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.3
[M+Na]+ 151.07294 137.0
[M+NH4]+ 146.11754 135.7
[M+K]+ 167.04688 129.8
[M-H]- 127.07644 128.5
[M+Na-2H]- 149.05839 131.9
[M]+ 128.08317 128.0
[M]- 128.08427 128.0
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