CID 11073781

(2e,6e)-2,6-dimethylocta-2,6-dienedial

Structural Information

Molecular Formula
C10H14O2
SMILES
C/C(=C\C=O)/CC/C=C(\C)/C=O
InChI
InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+
InChIKey
GRHWFPUCRVCMRY-TXFIJWAUSA-N
Compound name
(2E,6E)-2,6-dimethylocta-2,6-dienedial
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

166.09938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.106656 137.5
[M+Na]+ 189.088598 144.1
[M-H]- 165.092104 137.5
[M+NH4]+ 184.133203 158.2
[M+K]+ 205.062538 142.3
[M+H-H2O]+ 149.096640 132.9
[M+HCOO]- 211.097581 159.4
[M+CH3COO]- 225.113231 179.9
[M+Na-2H]- 187.074046 140.2
[M]+ 166.09883142 139.1
[M]- 166.09992858 139.1
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