CID 88257

Einecs 243-336-5

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCCCCCCCCC(=O)C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-16(19)15-12-11-14(18)13-17(15)20/h11-13,18,20H,2-10H2,1H3
InChIKey
UEEDZQGMUJIULC-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)undecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

278.1882 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 169.4
[M+Na]+ 301.17742 174.2
[M-H]- 277.18092 169.4
[M+NH4]+ 296.22202 184.3
[M+K]+ 317.15136 170.1
[M+H-H2O]+ 261.18546 162.8
[M+HCOO]- 323.18640 188.1
[M+CH3COO]- 337.20205 198.6
[M+Na-2H]- 299.16287 169.6
[M]+ 278.18765 172.2
[M]- 278.18875 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

literature stripe

Patent stripe

patents stripe