CID 54691241

(5z)-5-butylidene-3-[cyclopropyl(phenyl)methyl]-4-hydroxy-furan-2-one

Structural Information

Molecular Formula
C18H20O3
SMILES
CCC/C=C\1/C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H20O3/c1-2-3-9-14-17(19)16(18(20)21-14)15(13-10-11-13)12-7-5-4-6-8-12/h4-9,13,15,19H,2-3,10-11H2,1H3/b14-9-
InChIKey
NOWVWVRYHSOXIM-ZROIWOOFSA-N
Compound name
(5Z)-5-butylidene-3-[cyclopropyl(phenyl)methyl]-4-hydroxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 161.4
[M+Na]+ 307.13046 169.7
[M-H]- 283.13396 171.1
[M+NH4]+ 302.17506 172.4
[M+K]+ 323.10440 165.6
[M+H-H2O]+ 267.13850 154.8
[M+HCOO]- 329.13944 181.7
[M+CH3COO]- 343.15509 201.0
[M+Na-2H]- 305.11591 162.1
[M]+ 284.14069 164.7
[M]- 284.14179 164.7
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.