CID 93769

5-propylfuran-2(5h)-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CCCC1C=CC(=O)O1
InChI
InChI=1S/C7H10O2/c1-2-3-6-4-5-7(8)9-6/h4-6H,2-3H2,1H3
InChIKey
CLCLZCBNFSGUOD-UHFFFAOYSA-N
Compound name
2-propyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

126.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 123.0
[M+Na]+ 149.05730 131.4
[M-H]- 125.06080 127.4
[M+NH4]+ 144.10190 145.9
[M+K]+ 165.03124 131.8
[M+H-H2O]+ 109.06534 118.5
[M+HCOO]- 171.06628 147.3
[M+CH3COO]- 185.08193 169.9
[M+Na-2H]- 147.04275 129.5
[M]+ 126.06753 124.6
[M]- 126.06863 124.6
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