CID 5312374

2e,4e-undecadienoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
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 144.7
[M+Na]+ 205.11990 150.3
[M-H]- 181.12340 142.9
[M+NH4]+ 200.16450 164.1
[M+K]+ 221.09384 147.4
[M+H-H2O]+ 165.12794 139.8
[M+HCOO]- 227.12888 165.5
[M+CH3COO]- 241.14453 180.3
[M+Na-2H]- 203.10535 147.4
[M]+ 182.13013 146.0
[M]- 182.13123 146.0
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