CID 3023736

2-propen-1-yl 2-octenoate

Structural Information

Molecular Formula
C11H18O2
SMILES
CCCCCC=CC(=O)OCC=C
InChI
InChI=1S/C11H18O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4,8-9H,2-3,5-7,10H2,1H3
InChIKey
ZXSSSENGZAYAMP-UHFFFAOYSA-N
Compound name
prop-2-enyl oct-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.8
[M+Na]+ 205.119898 149.8
[M-H]- 181.123404 143.5
[M+NH4]+ 200.164503 163.9
[M+K]+ 221.093838 147.9
[M+H-H2O]+ 165.127940 138.7
[M+HCOO]- 227.128881 166.1
[M+CH3COO]- 241.144531 183.0
[M+Na-2H]- 203.105346 147.1
[M]+ 182.13013142 147.0
[M]- 182.13122858 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.