CID 131751504

4-hydroxy-3-methoxy-2,10-bisaboladien-9-one

Structural Information

Molecular Formula
C16H26O3
SMILES
CC(CC(=O)C=C(C)C)C1CC(C(C=C1)(C)O)OC
InChI
InChI=1S/C16H26O3/c1-11(2)8-14(17)9-12(3)13-6-7-16(4,18)15(10-13)19-5/h6-8,12-13,15,18H,9-10H2,1-5H3
InChIKey
OJBJKMUUDWTVQL-UHFFFAOYSA-N
Compound name
6-(4-hydroxy-5-methoxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 164.1
[M+Na]+ 289.177418 168.7
[M-H]- 265.180924 165.6
[M+NH4]+ 284.222023 182.1
[M+K]+ 305.151358 166.9
[M+H-H2O]+ 249.185460 159.3
[M+HCOO]- 311.186401 180.0
[M+CH3COO]- 325.202051 198.7
[M+Na-2H]- 287.162866 162.6
[M]+ 266.18765142 163.9
[M]- 266.18874858 163.9
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.