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]+ 195.101576 143.8
[M+Na]+ 217.083518 150.8
[M-H]- 193.087024 144.6
[M+NH4]+ 212.128123 163.8
[M+K]+ 233.057458 147.1
[M+H-H2O]+ 177.091560 139.1
[M+HCOO]- 239.092501 164.1
[M+CH3COO]- 253.108151 178.6
[M+Na-2H]- 215.068966 144.2
[M]+ 194.09375142 142.1
[M]- 194.09484858 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.