CID 70678836

(2e,4e,6e)-7-hydroxy-4-methylhepta-2,4,6-trienal

Structural Information

Molecular Formula
C8H10O2
SMILES
C/C(=C\C=C\O)/C=C/C=O
InChI
InChI=1S/C8H10O2/c1-8(4-2-6-9)5-3-7-10/h2-7,9H,1H3/b5-3+,6-2+,8-4+
InChIKey
TYQZWSFEJJSSQR-YUHMVAQCSA-N
Compound name
(2E,4E,6E)-7-hydroxy-4-methylhepta-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

138.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 129.4
[M+Na]+ 161.05730 136.6
[M-H]- 137.06080 128.3
[M+NH4]+ 156.10190 150.6
[M+K]+ 177.03124 134.0
[M+H-H2O]+ 121.06534 125.2
[M+HCOO]- 183.06628 151.4
[M+CH3COO]- 197.08193 169.6
[M+Na-2H]- 159.04275 133.8
[M]+ 138.06753 128.8
[M]- 138.06863 128.8
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.