CID 558448

Xi-5-isopropyl-2(5h)-furanone

Structural Information

Molecular Formula
C7H10O2
SMILES
CC(C)C1C=CC(=O)O1
InChI
InChI=1S/C7H10O2/c1-5(2)6-3-4-7(8)9-6/h3-6H,1-2H3
InChIKey
LWFKYUIZWLTJCA-UHFFFAOYSA-N
Compound name
2-propan-2-yl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

126.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.3
[M+Na]+ 149.05730 135.3
[M+NH4]+ 144.10190 132.9
[M+K]+ 165.03124 132.4
[M-H]- 125.06080 126.6
[M+Na-2H]- 147.04275 128.8
[M]+ 126.06753 126.4
[M]- 126.06863 126.4
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