CID 131752561

Wyerol

Structural Information

Molecular Formula
C15H16O4
SMILES
CC/C=C\C#CC(C1=CC=C(O1)/C=C\C(=O)OC)O
InChI
InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11,13,16H,3H2,1-2H3/b5-4-,11-9-
InChIKey
RIOSBTRTZGOASU-JXWPTCDWSA-N
Compound name
methyl (Z)-3-[5-[(Z)-1-hydroxyhept-4-en-2-ynyl]furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.10486 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 162.7
[M+Na]+ 283.09408 171.5
[M-H]- 259.09758 163.7
[M+NH4]+ 278.13868 177.5
[M+K]+ 299.06802 167.5
[M+H-H2O]+ 243.10212 150.6
[M+HCOO]- 305.10306 177.7
[M+CH3COO]- 319.11871 197.4
[M+Na-2H]- 281.07953 162.3
[M]+ 260.10431 160.1
[M]- 260.10541 160.1
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