CID 3016190

5,9-dimethyldeca-4,8-dienoic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=CCCC(=CCCC(=O)O)C)C
InChI
InChI=1S/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14)
InChIKey
HPOYZGTYWKRTPU-UHFFFAOYSA-N
Compound name
5,9-dimethyldeca-4,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1810
Patents

196.14633 Da
Monoisotopic Mass

3.5
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

patents stripe