CID 101224147

(1e,10s)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one

Structural Information

Molecular Formula
C17H24O4
SMILES
C[C@@H](CCCC(=O)CCC/C=C/C1=CC(=CC(=C1)O)O)O
InChI
InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1
InChIKey
TVXRLKRGDWQGQV-MXPWBENCSA-N
Compound name
(E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.16745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 172.0
[M+Na]+ 315.15667 180.9
[M+NH4]+ 310.20127 176.7
[M+K]+ 331.13061 175.8
[M-H]- 291.16017 170.6
[M+Na-2H]- 313.14212 173.6
[M]+ 292.16690 172.4
[M]- 292.16800 172.4
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