CID 90658637

Zealexin b1

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1(CCC=C(C1)C2=CC=C(CC2)C(=O)O)C
InChI
InChI=1S/C15H20O2/c1-15(2)9-3-4-13(10-15)11-5-7-12(8-6-11)14(16)17/h4-5,7H,3,6,8-10H2,1-2H3,(H,16,17)
InChIKey
FLTRYYPYDXSVMK-UHFFFAOYSA-N
Compound name
4-(5,5-dimethylcyclohexen-1-yl)cyclohexa-1,3-diene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 155.0
[M+Na]+ 255.13555 167.2
[M+NH4]+ 250.18015 165.0
[M+K]+ 271.10949 158.6
[M-H]- 231.13905 158.8
[M+Na-2H]- 253.12100 163.0
[M]+ 232.14578 157.9
[M]- 232.14688 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.