CID 10725569

5-pentyl-3h-furan-2-one

Structural Information

Molecular Formula
C9H14O2
SMILES
CCCCCC1=CCC(=O)O1
InChI
InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6H,2-5,7H2,1H3
InChIKey
PGAMJXWVUGDLRA-UHFFFAOYSA-N
Compound name
5-pentyl-3H-furan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

151
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 132.6
[M+Na]+ 177.08860 140.1
[M-H]- 153.09210 136.6
[M+NH4]+ 172.13320 154.4
[M+K]+ 193.06254 140.0
[M+H-H2O]+ 137.09664 127.7
[M+HCOO]- 199.09758 156.1
[M+CH3COO]- 213.11323 176.0
[M+Na-2H]- 175.07405 137.9
[M]+ 154.09883 134.9
[M]- 154.09993 134.9
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