CID 121012351

(2~{e},4~{e},6~{s})-4,6-dimethyldeca-2,4-dienoic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCC[C@H](C)/C=C(\C)/C=C/C(=O)O
InChI
InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m0/s1
InChIKey
DZXNZBWYVLLUAX-IVONAZQTSA-N
Compound name
(2E,4E,6S)-4,6-dimethyldeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 149.7
[M+Na]+ 219.13555 154.4
[M-H]- 195.13905 147.9
[M+NH4]+ 214.18015 168.4
[M+K]+ 235.10949 152.2
[M+H-H2O]+ 179.14359 144.8
[M+HCOO]- 241.14453 168.2
[M+CH3COO]- 255.16018 185.1
[M+Na-2H]- 217.12100 149.3
[M]+ 196.14578 150.0
[M]- 196.14688 150.0
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.