CID 71306353

2,6-dimethyldeca-2,4,6,8-tetraenedial

Structural Information

Molecular Formula
C12H14O2
SMILES
C/C(=C\C=C\C=O)/C=C/C=C(\C)/C=O
InChI
InChI=1S/C12H14O2/c1-11(6-3-4-9-13)7-5-8-12(2)10-14/h3-10H,1-2H3/b4-3+,7-5+,11-6+,12-8+
InChIKey
NOURWHKLHSWPGX-KIUBFKPTSA-N
Compound name
(2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

190.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 143.6
[M+Na]+ 213.088598 150.0
[M-H]- 189.092104 143.4
[M+NH4]+ 208.133203 163.3
[M+K]+ 229.062538 146.5
[M+H-H2O]+ 173.096640 138.8
[M+HCOO]- 235.097581 165.3
[M+CH3COO]- 249.113231 182.8
[M+Na-2H]- 211.074046 145.3
[M]+ 190.09883142 144.3
[M]- 190.09992858 144.3
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