CID 131753100

Asparenyol

Structural Information

Molecular Formula
C18H16O3
SMILES
COC1=CC=C(C=C1)OC/C=C\C#CC2=CC=C(C=C2)O
InChI
InChI=1S/C18H16O3/c1-20-17-10-12-18(13-11-17)21-14-4-2-3-5-15-6-8-16(19)9-7-15/h2,4,6-13,19H,14H2,1H3/b4-2-
InChIKey
MYCBDFJVVJREPO-RQOWECAXSA-N
Compound name
4-[(Z)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 168.6
[M+Na]+ 303.09917 178.4
[M-H]- 279.10267 171.6
[M+NH4]+ 298.14377 182.1
[M+K]+ 319.07311 171.1
[M+H-H2O]+ 263.10721 155.2
[M+HCOO]- 325.10815 185.2
[M+CH3COO]- 339.12380 202.0
[M+Na-2H]- 301.08462 171.2
[M]+ 280.10940 164.8
[M]- 280.11050 164.8
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.