CID 94568

Vinyl neononanoate

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)CCCCC(=O)OC=C
InChI
InChI=1S/C11H20O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h5H,1,6-9H2,2-4H3
InChIKey
WBZPMFHFKXZDRZ-UHFFFAOYSA-N
Compound name
ethenyl 6,6-dimethylheptanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2311
Patents

184.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 144.8
[M+Na]+ 207.13555 151.1
[M-H]- 183.13905 144.8
[M+NH4]+ 202.18015 165.2
[M+K]+ 223.10949 150.2
[M+H-H2O]+ 167.14359 140.4
[M+HCOO]- 229.14453 165.5
[M+CH3COO]- 243.16018 184.2
[M+Na-2H]- 205.12100 148.9
[M]+ 184.14578 148.4
[M]- 184.14688 148.4
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.