CID 53426062

Methyl deca-4,8-dienoate

Structural Information

Molecular Formula
C11H18O2
SMILES
CC=CCCC=CCCC(=O)OC
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKey
ZYNYTTXGMNCKDP-UHFFFAOYSA-N
Compound name
methyl deca-4,8-dienoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

7
Patents

182.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 144.0
[M+Na]+ 205.119898 150.1
[M-H]- 181.123404 143.7
[M+NH4]+ 200.164503 164.3
[M+K]+ 221.093838 148.2
[M+H-H2O]+ 165.127940 139.0
[M+HCOO]- 227.128881 166.4
[M+CH3COO]- 241.144531 182.4
[M+Na-2H]- 203.105346 147.3
[M]+ 182.13013142 147.2
[M]- 182.13122858 147.2
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