CID 10012855

Nakienone a

Structural Information

Molecular Formula
C11H14O3
SMILES
C=C/C=C(/CO)\C1=C(CCC1=O)CO
InChI
InChI=1S/C11H14O3/c1-2-3-8(6-12)11-9(7-13)4-5-10(11)14/h2-3,12-13H,1,4-7H2/b8-3-
InChIKey
FLIOPQJLDGGJFK-BAQGIRSFSA-N
Compound name
3-(hydroxymethyl)-2-[(2E)-1-hydroxypenta-2,4-dien-2-yl]cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 143.8
[M+Na]+ 217.08352 150.8
[M-H]- 193.08702 144.6
[M+NH4]+ 212.12812 163.8
[M+K]+ 233.05746 147.1
[M+H-H2O]+ 177.09156 139.1
[M+HCOO]- 239.09250 164.1
[M+CH3COO]- 253.10815 178.6
[M+Na-2H]- 215.06897 144.2
[M]+ 194.09375 142.1
[M]- 194.09485 142.1
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.