CID 12789094

60380-09-8

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(C)C1CC(=O)C=CO1
InChI
InChI=1S/C8H12O2/c1-6(2)8-5-7(9)3-4-10-8/h3-4,6,8H,5H2,1-2H3
InChIKey
JFUCHRFCYSXKGC-UHFFFAOYSA-N
Compound name
2-propan-2-yl-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 127.4
[M+Na]+ 163.07294 134.2
[M-H]- 139.07644 131.6
[M+NH4]+ 158.11754 147.9
[M+K]+ 179.04688 135.0
[M+H-H2O]+ 123.08098 122.3
[M+HCOO]- 185.08192 148.2
[M+CH3COO]- 199.09757 174.1
[M+Na-2H]- 161.05839 133.4
[M]+ 140.08317 126.7
[M]- 140.08427 126.7
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

No patent data available for this compound.