CID 6436176

Xenyhexenic acid

Structural Information

Molecular Formula
C18H18O2
SMILES
C/C=C/CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H18O2/c1-2-3-9-17(18(19)20)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h2-8,10-13,17H,9H2,1H3,(H,19,20)/b3-2+
InChIKey
ZVRCODPBROUJIT-NSCUHMNNSA-N
Compound name
(E)-2-(4-phenylphenyl)hex-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

266.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 164.1
[M+Na]+ 289.11990 177.6
[M+NH4]+ 284.16450 171.9
[M+K]+ 305.09384 169.8
[M-H]- 265.12340 167.8
[M+Na-2H]- 287.10535 172.2
[M]+ 266.13013 167.0
[M]- 266.13123 167.0
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