CID 97846

3620-18-6

Structural Information

Molecular Formula
C7H10O3
SMILES
CC1CC(C(=O)O1)C(=O)C
InChI
InChI=1S/C7H10O3/c1-4-3-6(5(2)8)7(9)10-4/h4,6H,3H2,1-2H3
InChIKey
PNRIRUUSCZDXEP-UHFFFAOYSA-N
Compound name
3-acetyl-5-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

142.06299 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 128.0
[M+Na]+ 165.05221 138.0
[M+NH4]+ 160.09681 135.6
[M+K]+ 181.02615 135.9
[M-H]- 141.05571 129.3
[M+Na-2H]- 163.03766 130.7
[M]+ 142.06244 129.5
[M]- 142.06354 129.5
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.