CID 168266071

(8s)-annullatin j

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCC[C@@H](C1=C(C(=C(C=C1)CC=C(C)C)O)CO)O
InChI
InChI=1S/C17H26O3/c1-4-5-6-16(19)14-10-9-13(8-7-12(2)3)17(20)15(14)11-18/h7,9-10,16,18-20H,4-6,8,11H2,1-3H3/t16-/m0/s1
InChIKey
QHQGWXJGRUWJLL-INIZCTEOSA-N
Compound name
2-(hydroxymethyl)-3-[(1S)-1-hydroxypentyl]-6-(3-methylbut-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1882 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.195476 169.6
[M+Na]+ 301.177418 174.8
[M-H]- 277.180924 168.7
[M+NH4]+ 296.222023 184.2
[M+K]+ 317.151358 170.4
[M+H-H2O]+ 261.185460 163.7
[M+HCOO]- 323.186401 185.8
[M+CH3COO]- 337.202051 197.7
[M+Na-2H]- 299.162866 167.4
[M]+ 278.18765142 170.2
[M]- 278.18874858 170.2
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

No patent data available for this compound.