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]+ 261.14852 163.3
[M+Na]+ 283.13046 168.1
[M-H]- 259.13396 163.3
[M+NH4]+ 278.17506 178.6
[M+K]+ 299.10440 163.5
[M+H-H2O]+ 243.13850 157.0
[M+HCOO]- 305.13944 181.8
[M+CH3COO]- 319.15509 192.3
[M+Na-2H]- 281.11591 163.5
[M]+ 260.14069 163.1
[M]- 260.14179 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.