CID 5283331

2,4,6-octatrienal

Structural Information

Molecular Formula
C8H10O
SMILES
C/C=C/C=C/C=C/C=O
InChI
InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+
InChIKey
ZUZGMJKUENNLQL-ICDJNDDTSA-N
Compound name
(2E,4E,6E)-octa-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

196
Patents

122.073166 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 124.7
[M+Na]+ 145.06238 132.6
[M-H]- 121.06589 125.0
[M+NH4]+ 140.10699 147.4
[M+K]+ 161.03632 130.1
[M+H-H2O]+ 105.07043 120.6
[M+HCOO]- 167.07137 149.1
[M+CH3COO]- 181.08702 169.6
[M+Na-2H]- 143.04783 131.1
[M]+ 122.07262 125.3
[M]- 122.07371 125.3
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