CID 5283334

4-hydroxy-2-octenal

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCCC(/C=C/C=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6-8,10H,2-3,5H2,1H3/b6-4+
InChIKey
PYWFGGNTBVBZAT-GQCTYLIASA-N
Compound name
(E)-4-hydroxyoct-2-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

27
Patents

142.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.6
[M+Na]+ 165.08860 142.0
[M+NH4]+ 160.13320 139.5
[M+K]+ 181.06254 136.5
[M-H]- 141.09210 130.9
[M+Na-2H]- 163.07405 135.1
[M]+ 142.09883 133.1
[M]- 142.09993 133.1
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

patents stripe