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]+ 267.19548 165.6
[M+Na]+ 289.17742 174.3
[M+NH4]+ 284.22202 173.0
[M+K]+ 305.15136 167.9
[M-H]- 265.18092 165.2
[M+Na-2H]- 287.16287 168.7
[M]+ 266.18765 166.6
[M]- 266.18875 166.6
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.