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]+ 197.153606 149.7
[M+Na]+ 219.135548 154.4
[M-H]- 195.139054 147.9
[M+NH4]+ 214.180153 168.4
[M+K]+ 235.109488 152.2
[M+H-H2O]+ 179.143590 144.8
[M+HCOO]- 241.144531 168.2
[M+CH3COO]- 255.160181 185.1
[M+Na-2H]- 217.120996 149.3
[M]+ 196.14578142 150.0
[M]- 196.14687858 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.