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]+ 279.19548 169.6
[M+Na]+ 301.17742 174.8
[M-H]- 277.18092 168.7
[M+NH4]+ 296.22202 184.2
[M+K]+ 317.15136 170.4
[M+H-H2O]+ 261.18546 163.7
[M+HCOO]- 323.18640 185.8
[M+CH3COO]- 337.20205 197.7
[M+Na-2H]- 299.16287 167.4
[M]+ 278.18765 170.2
[M]- 278.18875 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.