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]+ 285.148516 167.5
[M+Na]+ 307.130458 173.5
[M-H]- 283.133964 170.3
[M+NH4]+ 302.175063 181.4
[M+K]+ 323.104398 168.4
[M+H-H2O]+ 267.138500 160.7
[M+HCOO]- 329.139441 184.9
[M+CH3COO]- 343.155091 196.6
[M+Na-2H]- 305.115906 167.5
[M]+ 284.14069142 165.9
[M]- 284.14178858 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.