CID 42608138

Lmpk13090023

Structural Information

Molecular Formula
C18H20O3
SMILES
CC/C(=C(/CC)\C1=CC(=CC(=C1)O)O)/C2=CC=C(C=C2)O
InChI
InChI=1S/C18H20O3/c1-3-17(12-5-7-14(19)8-6-12)18(4-2)13-9-15(20)11-16(21)10-13/h5-11,19-21H,3-4H2,1-2H3/b18-17+
InChIKey
KEEHONPEZXWUDM-ISLYRVAYSA-N
Compound name
5-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 167.5
[M+Na]+ 307.13046 173.5
[M-H]- 283.13396 170.3
[M+NH4]+ 302.17506 181.4
[M+K]+ 323.10440 168.4
[M+H-H2O]+ 267.13850 160.7
[M+HCOO]- 329.13944 184.9
[M+CH3COO]- 343.15509 196.6
[M+Na-2H]- 305.11591 167.5
[M]+ 284.14069 165.9
[M]- 284.14179 165.9
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.