CID 70249

1-(vinyloxy)octane

Structural Information

Molecular Formula
C10H20O
SMILES
CCCCCCCCOC=C
InChI
InChI=1S/C10H20O/c1-3-5-6-7-8-9-10-11-4-2/h4H,2-3,5-10H2,1H3
InChIKey
XXCVIFJHBFNFBO-UHFFFAOYSA-N
Compound name
1-ethenoxyoctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12205
Patents

156.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 138.5
[M+Na]+ 179.140628 144.4
[M-H]- 155.144134 138.1
[M+NH4]+ 174.185233 159.8
[M+K]+ 195.114568 143.1
[M+H-H2O]+ 139.148670 133.5
[M+HCOO]- 201.149611 161.5
[M+CH3COO]- 215.165261 180.5
[M+Na-2H]- 177.126076 143.6
[M]+ 156.15086142 142.1
[M]- 156.15195858 142.1
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