CID 54686804

81017-02-9

Structural Information

Molecular Formula
C10H14O3
SMILES
CCCCCC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C10H14O3/c1-2-3-4-5-9-6-8(11)7-10(12)13-9/h6-7,11H,2-5H2,1H3
InChIKey
YIXLDRQOKWESBI-UHFFFAOYSA-N
Compound name
4-hydroxy-6-pentylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

142
Patents

182.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 137.3
[M+Na]+ 205.08352 150.3
[M+NH4]+ 200.12812 145.0
[M+K]+ 221.05746 144.5
[M-H]- 181.08702 139.8
[M+Na-2H]- 203.06897 142.9
[M]+ 182.09375 139.8
[M]- 182.09485 139.8
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