CID 54687907

2(5h)-furanone, 3-(cyclopropylphenylmethyl)-4-hydroxy-5-propyl-

Structural Information

Molecular Formula
C17H20O3
SMILES
CCCC1C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H20O3/c1-2-6-13-16(18)15(17(19)20-13)14(12-9-10-12)11-7-4-3-5-8-11/h3-5,7-8,12-14,18H,2,6,9-10H2,1H3
InChIKey
NEFZBAZUEJHYDM-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-propyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.14124 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14852 157.5
[M+Na]+ 295.13046 165.9
[M-H]- 271.13396 167.4
[M+NH4]+ 290.17506 169.1
[M+K]+ 311.10440 162.6
[M+H-H2O]+ 255.13850 151.0
[M+HCOO]- 317.13944 178.0
[M+CH3COO]- 331.15509 199.5
[M+Na-2H]- 293.11591 158.8
[M]+ 272.14069 161.2
[M]- 272.14179 161.2
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.