CID 53464140

5-formyl-2-hydroxy-7-methyl-octa-2,4-dienoate

Structural Information

Molecular Formula
C10H14O4
SMILES
CC(C)CC(=CO)C=CC(=O)C(=O)O
InChI
InChI=1S/C10H14O4/c1-7(2)5-8(6-11)3-4-9(12)10(13)14/h3-4,6-7,11H,5H2,1-2H3,(H,13,14)
InChIKey
OSCCLEQLZMKFIK-UHFFFAOYSA-N
Compound name
5-(hydroxymethylidene)-7-methyl-2-oxooct-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 146.4
[M+Na]+ 221.07842 153.0
[M+NH4]+ 216.12302 150.5
[M+K]+ 237.05236 150.7
[M-H]- 197.08192 141.8
[M+Na-2H]- 219.06387 145.4
[M]+ 198.08865 145.3
[M]- 198.08975 145.3
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.