CID 46173987

1-(4-hydroxyphenyl)-1-decene-3,5-dione

Structural Information

Molecular Formula
C16H20O3
SMILES
CCCCCC(=O)/C=C(/C=C/C1=CC=C(C=C1)O)\O
InChI
InChI=1S/C16H20O3/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-12,17,19H,2-5H2,1H3/b11-8+,16-12-
InChIKey
BPKJQFWJSGXTQX-NJAVVXAXSA-N
Compound name
(1E,3Z)-3-hydroxy-1-(4-hydroxyphenyl)deca-1,3-dien-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.148516 163.3
[M+Na]+ 283.130458 168.1
[M-H]- 259.133964 163.3
[M+NH4]+ 278.175063 178.6
[M+K]+ 299.104398 163.5
[M+H-H2O]+ 243.138500 157.0
[M+HCOO]- 305.139441 181.8
[M+CH3COO]- 319.155091 192.3
[M+Na-2H]- 281.115906 163.5
[M]+ 260.14069142 163.1
[M]- 260.14178858 163.1
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.