CID 80472

Vinyl pelargonate

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCCCC(=O)OC=C
InChI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h4H,2-3,5-10H2,1H3
InChIKey
NWJTZFZQVYJIHU-UHFFFAOYSA-N
Compound name
ethenyl nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1698
Patents

184.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.3
[M+Na]+ 207.13555 151.0
[M-H]- 183.13905 144.9
[M+NH4]+ 202.18015 165.4
[M+K]+ 223.10949 149.7
[M+H-H2O]+ 167.14359 140.1
[M+HCOO]- 229.14453 167.5
[M+CH3COO]- 243.16018 184.6
[M+Na-2H]- 205.12100 148.6
[M]+ 184.14578 149.4
[M]- 184.14688 149.4
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.