CID 54676473

3-cyclohexyl-4-hydroxy-2(5h)furanone

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CCC(CC1)C2=C(COC2=O)O
InChI
InChI=1S/C10H14O3/c11-8-6-13-10(12)9(8)7-4-2-1-3-5-7/h7,11H,1-6H2
InChIKey
UOHNVACTBABRQJ-UHFFFAOYSA-N
Compound name
4-cyclohexyl-3-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 138.1
[M+Na]+ 205.08352 144.0
[M-H]- 181.08702 143.7
[M+NH4]+ 200.12812 157.7
[M+K]+ 221.05746 143.0
[M+H-H2O]+ 165.09156 132.8
[M+HCOO]- 227.09250 157.3
[M+CH3COO]- 241.10815 176.3
[M+Na-2H]- 203.06897 141.1
[M]+ 182.09375 134.0
[M]- 182.09485 134.0
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.