CID 5312362

4e,9-decadienoic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C=CCCC/C=C/CCC(=O)O
InChI
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2,6-7H,1,3-5,8-9H2,(H,11,12)/b7-6+
InChIKey
HUWLXPDFBSKCSY-VOTSOKGWSA-N
Compound name
(4E)-deca-4,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.9
[M+Na]+ 191.10426 145.8
[M-H]- 167.10776 138.2
[M+NH4]+ 186.14886 159.8
[M+K]+ 207.07820 143.2
[M+H-H2O]+ 151.11230 135.2
[M+HCOO]- 213.11324 161.0
[M+CH3COO]- 227.12889 178.0
[M+Na-2H]- 189.08971 143.2
[M]+ 168.11449 140.9
[M]- 168.11559 140.9
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