CID 21116378

1-(2,4-dihydroxyphenyl)undecan-2-one

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCCCCCCCC(=O)CC1=C(C=C(C=C1)O)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15(18)12-14-10-11-16(19)13-17(14)20/h10-11,13,19-20H,2-9,12H2,1H3
InChIKey
ZCDLYKFRHUMMOU-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.195476 169.4
[M+Na]+ 301.177418 174.2
[M-H]- 277.180924 169.4
[M+NH4]+ 296.222023 184.3
[M+K]+ 317.151358 170.1
[M+H-H2O]+ 261.185460 162.8
[M+HCOO]- 323.186401 188.1
[M+CH3COO]- 337.202051 198.6
[M+Na-2H]- 299.162866 169.6
[M]+ 278.18765142 172.2
[M]- 278.18874858 172.2
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.