CID 146683540

(2z,4e)-3-methyl-2,4-decadienoic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
CCCCC/C=C/C(=C\C(=O)O)/C
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)/b8-7+,10-9-
InChIKey
HBIHEKAVUPUBGT-GOJKSUSPSA-N
Compound name
(2Z,4E)-3-methyldeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 145.0
[M+Na]+ 205.11990 150.4
[M-H]- 181.12340 143.3
[M+NH4]+ 200.16450 164.4
[M+K]+ 221.09384 148.0
[M+H-H2O]+ 165.12794 140.2
[M+HCOO]- 227.12888 164.8
[M+CH3COO]- 241.14453 181.2
[M+Na-2H]- 203.10535 146.5
[M]+ 182.13013 145.6
[M]- 182.13123 145.6
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.