CID 11789781

Dtxsid501157433

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1=C(C(=O)C[C@@H]1O)C/C=C\C=C
InChI
InChI=1S/C11H14O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h3-5,10,12H,1,6-7H2,2H3/b5-4-/t10-/m0/s1
InChIKey
IVGYSSJKFLEVIX-LWTINBJPSA-N
Compound name
(4S)-4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

178.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 138.5
[M+Na]+ 201.088598 147.3
[M-H]- 177.092104 141.1
[M+NH4]+ 196.133203 160.4
[M+K]+ 217.062538 143.5
[M+H-H2O]+ 161.096640 134.1
[M+HCOO]- 223.097581 161.2
[M+CH3COO]- 237.113231 179.4
[M+Na-2H]- 199.074046 140.1
[M]+ 178.09883142 138.3
[M]- 178.09992858 138.3
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

patents stripe